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ravila4/ORA_docking_results.ipynb

Created April 29, 2018 16:39
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Orexin docking results
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ORA_docking_results.ipynb
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# AutoDock Vina & VinaXB Docking Results of Orexin Receptor Antagonists\n"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Parsing the log files"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"The custom *vinaparse* module is used to create a DockResult object with several attributes, including receptor name, ligand name, runtime, output pdb, and its list of scores and RMSD values (which are stored as a list of tuples). Several methods are defined in *vinaparse.py*, including getting the top score, and the average RMSD for a compound."
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"import glob\n",
"import time\n",
"import vinaparse\n",
"\n",
"docking_results = [] # Stores a list of DockResult objects\n",
"\n",
"for rootdir in glob.glob(\"*/\"):\n",
" if rootdir != \"__pycache__/\":\n",
" # Gathering metadata from the directory names\n",
" receptor, ligtype = rootdir[:-1].split(\"_\")\n",
" for result in glob.glob(rootdir + \"*/\"):\n",
" n = (result.split(\"/\")[1])\n",
" if n.endswith(\"XB\"):\n",
" tool = \"vinaXB\"\n",
" ligand = n[:-2].replace(\"_sdf\", \"\").replace(\"__cdx\", \"\").replace(\"_cdx\", \"\")\n",
" else:\n",
" tool = \"vina\"\n",
" ligand = n.replace(\"_sdf\", \"\").replace(\"__cdx\", \"\").replace(\"_cdx\", \"\")\n",
" # Read data from the log file\n",
" with open(result + \"log.txt\") as l:\n",
" data = vinaparse.parse_logfile(l)\n",
" # Read output pdb\n",
" with open(result + \"out.pdb\") as p:\n",
" pdb = p.read()\n",
" # Read runtime log\n",
" with open(result + \"time.txt\") as t:\n",
" t.readline()\n",
" timestr = t.readline().split(\"\\t\")[1].rstrip(\"s\\n\").split(\"m\")\n",
" runtime = 60 * float(timestr[0]) + float(timestr[1])\n",
" # Initialize a DockResult object\n",
" docking_results.append(vinaparse.DockResult(receptor, ligand, ligtype, tool, data, runtime, pdb))"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Creating ligand sublists"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"We create a dictionary to separate the results from vina and vinaXB, and then further classify each of these lists by receptor type."
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {
"collapsed": true,
"scrolled": true
},
"outputs": [],
"source": [
"# Create a list of docking results for Vina and VinaXB\n",
"tool_dict = vinaparse.list_by_tool(docking_results)\n",
"\n",
"# Create lists for each receptor\n",
"vina_results = vinaparse.list_by_receptor(tool_dict['vina'])\n",
"vinaXB_results = vinaparse.list_by_receptor(tool_dict['vinaXB'])"
]
},
{
"cell_type": "markdown",
"metadata": {
"collapsed": true
},
"source": [
"## Comparing receptor scores by ligand type"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"The list of compounds for each receptor is classified into lists based on ligand type, and box plots are generated.\n",
"The receptor with PDB code 4S0V, corresponding to OX2R is expected to have greater affinity toward 2-SORA and DORA ligands than toward 1SORA ligands. The receptors 4ZJ8 and 4ZJC, both corresponding to OX1R are expected to have greater affinity toward 1-SORA and DORA ligands than toward 2-SORA ligands."
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
"outputs": [
{
"data": {
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NtGiTJEmSNC0WbFMrxxhZtEmSJEmqO+3t7Vx33XWjll122WWcfvrpnHbaaTXqVWVYtEmS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\nWbRJkiRJUsMs2iRJkiSpYX8B6dqJjxja8ggAAAAASUVORK5CYII=\n",
"text/plain": [
"<matplotlib.figure.Figure at 0x7fb4f812f7f0>"
]
},
"metadata": {},
"output_type": "display_data"
}
],
"source": [
"import matplotlib.pyplot as plt\n",
"\n",
"\n",
"def plot_by_ligtype(receptor, ax):\n",
" \"\"\"Draws a boxplot comparing ligand types for a given receptor.\"\"\"\n",
" # Classify receptor results by ligand type\n",
" vina_ligtypes = vinaparse.list_by_ligtype(vina_results[receptor])\n",
" vinaXB_ligtypes = vinaparse.list_by_ligtype(vinaXB_results[receptor])\n",
"\n",
" # Get score data for each ligand type\n",
" l_DORA = [[result.get_top_score() for result in vina_ligtypes['DORA']],\n",
" [result.get_top_score() for result in vinaXB_ligtypes['DORA']]]\n",
" l_1SORA = [[result.get_top_score() for result in vina_ligtypes['1SORA']],\n",
" [result.get_top_score() for result in vinaXB_ligtypes['1SORA']]]\n",
" l_2SORA = [[result.get_top_score() for result in vina_ligtypes['2SORA']],\n",
" [result.get_top_score() for result in vinaXB_ligtypes['2SORA']]]\n",
"\n",
" # Make boxplots\n",
" bp = ax.boxplot(l_DORA, positions = [1, 2], widths = 0.6, patch_artist=True)\n",
" bp['boxes'][0].set(facecolor = '#1b9e77')\n",
" bp = ax.boxplot(l_1SORA, positions = [4, 5], widths = 0.6, patch_artist=True)\n",
" bp['boxes'][0].set(facecolor = '#1b9e77')\n",
" bp = ax.boxplot(l_2SORA, positions = [7, 8], widths = 0.6, patch_artist=True)\n",
" bp['boxes'][0].set(facecolor = '#1b9e77')\n",
" \n",
" # Set axes limits and labels\n",
" ax.set_title(\"Docking Energies for Receptor \" + receptor)\n",
" ax.set_xlabel(\"Ligand Type\")\n",
" ax.set_ylabel(\"Docking Score (kcal/mol)\")\n",
" ax.set_xlim(0,9)\n",
" ax.set_ylim(-12, -7)\n",
" ax.yaxis.grid(True)\n",
" ax.set_xticklabels(['DORA', '1-SORA', '2-SORA'])\n",
" ax.set_xticks([1.5, 4.5, 7.5])\n",
"\n",
" # Create a legend\n",
" hB, = plt.plot([1,1],'#1b9e77')\n",
" hR, = plt.plot([1,1],'#1F76B3')\n",
" plt.legend((hB, hR),('Vina', 'Vina XB'))\n",
" hB.set_visible(False)\n",
" hR.set_visible(False)\n",
"\n",
" \n",
"# Prepare subplots\n",
"fig, (ax1, ax2, ax3) = plt.subplots(nrows=1, ncols=3, figsize=(14, 7))\n",
"plt.tight_layout(pad=8, w_pad=4, h_pad=0)\n",
"\n",
"# Plot each receptor\n",
"plot_by_ligtype(\"4S0V\", ax1)\n",
"plot_by_ligtype(\"4ZJ8\", ax2)\n",
"plot_by_ligtype(\"4ZJC\", ax3)\n",
"\n",
"plt.show()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Comparing best docking energies vs average RMSDs"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"For each ligand, nine docking trials were carried out. The poses are ranked by energy, and the RMSD from the top scoring pose is calculated. Calculating the average RMSD for all poses gives an indication of the frequency with which the ligand binds to the receptor in the same orientation."
]
},
{
"cell_type": "code",
"execution_count": 6,
"metadata": {
"collapsed": true,
"scrolled": true,
"slideshow": {
"slide_type": "slide"
}
},
"outputs": [],
"source": [
"import mpld3\n",
"import matplotlib.patches as mpatches\n",
"\n",
"\n",
"def energy_rmsd_scatterplt(receptor_name, ligand_type, ax):\n",
" \"\"\"Draws a scatterplot of energy vs average RMSD for a given receptor.\"\"\"\n",
" # Classify receptor results by ligand type\n",
" vina_ligtypes = vinaparse.list_by_ligtype(vina_results[receptor_name])\n",
" vinaXB_ligtypes = vinaparse.list_by_ligtype(vinaXB_results[receptor_name])\n",
"\n",
" # Get score and average RMSD data for each ligand type\n",
" vina_scores = [result.get_top_score() for result in vina_ligtypes[ligand_type]]\n",
" vina_avg_rmsd = [result.get_avg_rmsd() for result in vina_ligtypes[ligand_type]]\n",
" vinaXB_scores = [result.get_top_score() for result in vinaXB_ligtypes[ligand_type]]\n",
" vinaXB_avg_rmsd = [result.get_avg_rmsd() for result in vinaXB_ligtypes[ligand_type]]\n",
" \n",
" # Setup Figure\n",
" ax.grid(color='#b2b2b2', linestyle='dotted')\n",
" \n",
" # Plot Vina data\n",
" vinaplt = ax.scatter(vina_avg_rmsd, vina_scores, s=80, alpha=0.6, marker=\"s\", c=\"Orange\")\n",
" \n",
" # Display Vina tooltips\n",
" lig_names = [result.ligand + \": \" + str(result.get_top_score()) for result in vina_ligtypes[ligand_type]]\n",
" tooltip = mpld3.plugins.PointHTMLTooltip(vinaplt, labels=lig_names, voffset=-20)\n",
" mpld3.plugins.connect(fig, tooltip)\n",
" \n",
" # Plot Vina XB data\n",
" vinaXBplt = ax.scatter(vinaXB_avg_rmsd, vinaXB_scores, s=80, alpha=0.5, marker=\"o\", c=\"Purple\")\n",
" \n",
" # Display VinaXB tooltips\n",
" lig_names = [result.ligand + \": \" + str(result.get_top_score()) for result in vinaXB_ligtypes[ligand_type]]\n",
" tooltip = mpld3.plugins.PointHTMLTooltip(vinaXBplt, labels=lig_names, voffset=-20)\n",
" mpld3.plugins.connect(fig, tooltip)\n",
" \n",
" # Labels\n",
" ax.xaxis.labelpad=6\n",
" ax.yaxis.labelpad=12\n",
" ax.set_ylabel(\"Docking Score\")\n",
" ax.set_xlabel(\"Average RMSD\")\n",
" ax.set_title(ligand_type + \" docked in \" + receptor_name)"
]
},
{
"cell_type": "code",
"execution_count": 7,
"metadata": {
"scrolled": true
},
"outputs": [
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" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.draw_figure(\"fig_el253651404155061608884388396093\", {\"width\": 1008.0, \"height\": 1008.0, \"axes\": [{\"bbox\": [0.1021825396825397, 0.6967592592592593, 0.2232142857142857, 0.21990740740740744], \"xlim\": [1.5707955368543058, 5.018268210459607], \"ylim\": [-11.758506635105867, -7.7998877275062375], \"xdomain\": [1.5707955368543058, 5.018268210459607], \"ydomain\": [-11.758506635105867, -7.7998877275062375], \"xscale\": \"linear\", \"yscale\": \"linear\", \"axes\": [{\"position\": \"bottom\", \"nticks\": 9, \"tickvalues\": null, \"tickformat\": null, \"scale\": \"linear\", \"fontsize\": 10.0, \"grid\": {\"gridOn\": true, \"color\": \"#B2B2B2\", \"dasharray\": \"0.8,1.32\", \"alpha\": 1.0}, \"visible\": true}, {\"position\": \"left\", \"nticks\": 10, \"tickvalues\": null, \"tickformat\": null, \"scale\": \"linear\", \"fontsize\": 10.0, \"grid\": {\"gridOn\": true, \"color\": \"#B2B2B2\", \"dasharray\": \"0.8,1.32\", \"alpha\": 1.0}, \"visible\": true}], \"axesbg\": \"#FFFFFF\", \"axesbgalpha\": null, \"zoomable\": true, \"id\": \"el25365140415507358328\", \"lines\": [], \"paths\": [], \"markers\": [], \"texts\": [{\"text\": \"Average RMSD\", \"position\": [0.5, -0.1037593984962406], \"coordinates\": \"axes\", \"h_anchor\": \"middle\", \"v_baseline\": \"hanging\", \"rotation\": -0.0, \"fontsize\": 10.0, \"color\": \"#000000\", \"alpha\": 1, \"zorder\": 3, \"id\": \"el25365140415586172264\"}, {\"text\": \"Docking Score\", \"position\": [-0.22111111111111112, 0.5], \"coordinates\": \"axes\", \"h_anchor\": \"middle\", \"v_baseline\": \"auto\", \"rotation\": -90.0, \"fontsize\": 10.0, \"color\": \"#000000\", \"alpha\": 1, \"zorder\": 3, \"id\": \"el25365140415585821696\"}, {\"text\": \"DORA docked in 4S0V\", \"position\": [0.5, 1.0270676691729324], \"coordinates\": \"axes\", \"h_anchor\": \"middle\", \"v_baseline\": \"auto\", \"rotation\": -0.0, \"fontsize\": 12.0, \"color\": \"#000000\", \"alpha\": 1, \"zorder\": 3, \"id\": 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\"DORA_14_G: -10.7\", \"DORA_11_I: -9.7\", \"D_Int_48_A: -10.0\", \"DORA_14_R: -10.4\", \"DORA_11_H: -9.0\", \"D_Int_49_D: -10.7\", \"DORA_14_H: -10.6\", \"DORA_39: -10.4\", \"DORA_37_C: -10.4\", \"D_Int_47_B: -10.1\", \"15_Met_17_B: -9.1\", \"DORA_11_F: -9.7\", \"DORA_35: -9.0\", \"DORA_7_A: -11.1\", \"DORA_24_A: -8.2\", \"ORA_74: -9.0\", \"DORA_24_B: -9.1\", \"D_Int_49_B: -9.5\", \"DORA_33: -10.1\", \"DORA_14_M: -10.8\", \"D-analogue_41: -9.2\", \"15_Met_18: -9.2\", \"DORA_14_L: -10.6\", \"DORA_13_D: -9.1\", \"DORA_71: -10.4\", \"DORA_38: -10.1\", \"DORA_37_A: -10.7\", \"15_Met_19_C: -9.1\", \"DORA_14_J: -9.8\", \"DORA_37_B: -11.0\", \"DORA_20: -8.6\", \"28_Met_32_A: -9.2\", \"DORA_14_I: -10.2\", \"DORA_15_B: -10.2\", \"DORA_14_N: -10.1\", \"DORA_13_A: -9.6\", \"DORA_14_P: -10.1\", \"DORA_11_D: -9.8\", \"D_Int_45: -9.2\", \"D_analogue_40: -9.1\", \"D_Int_48_D: -10.1\", \"15_Met_19_B: -9.1\", \"DORA_14_Q: -9.6\", \"DORA_13_E: -9.5\", \"DORA_11_G: -10.5\", \"DORA_8_B: -10.5\", \"DORA_15_A: -10.0\", \"DORA_28: -11.6\", \"DORA_13_C: -10.0\", \"D_Int_49_C: -11.1\", \"DORA_15_C: -10.0\", \"D_Int_48_C: -10.5\", \"15_Met_16: -9.1\", \"DORA_11_L: -9.8\", \"D_Int_48_B: -10.5\", \"DORA_11_E: -10.3\", \"DORA_56: -9.8\", \"DORA_11_C: -10.2\", \"DORA_22: -9.8\", \"15_Met_19_A: -9.2\", \"DORA_11_K: -10.0\", \"DORA_7_B: -11.2\", \"D_Int_46: -9.1\", \"DORA_14_K: -10.0\", \"28_Met_31: -9.1\", \"DORA_9: -8.9\", \"DORA_36: -9.9\", \"Filorexant_50: -9.8\", \"DORA_14_O: -10.7\", \"DORA_11_B: -9.4\", \"DORA_11_A: -10.4\", \"DORA_11_J: -9.4\", \"15_Met_19_D: -9.1\", \"DORA_25_B: -10.1\", \"D_Int_49_A: -10.4\", \"DORA_34: -8.5\", \"DORA_25_A: -10.2\", \"D_Int_47_A: -10.0\", \"DORA_70: -8.9\"], \"hoffset\": 0, \"voffset\": -20}, {\"type\": \"htmltooltip\", \"id\": \"el25365140414871021104\", \"labels\": [\"DORA_13_C: -10.0\", \"DORA_11_F: -9.6\", \"D_Int_47_A: -10.0\", \"28_Met_31: -9.2\", \"D_Int_49_D: -10.7\", \"DORA_33: -10.1\", \"15_Met_19_A: -9.1\", \"15_Met_18: -9.2\", \"DORA_70: -8.9\", \"15_Met_19_C: -9.2\", \"DORA_11_E: -10.3\", \"DORA_14_J: -9.8\", \"DORA_11_L: -9.8\", \"DORA_20: -8.6\", \"D_Int_49_C: -11.2\", \"DORA_14_P: -10.1\", \"DORA_13_A: -9.6\", \"DORA_11_H: -9.4\", \"Filorexant_50: -9.9\", \"DORA_22: -9.8\", \"DORA_7_B: -11.2\", \"D_Int_49_B: -9.6\", \"D_analogue_40: -9.1\", \"DORA_8_A: -11.0\", \"28_Met_32_A: -9.2\", \"DORA_13_B: -9.6\", \"DORA_39: -10.4\", \"15_Met_16: -9.2\", \"DORA_15_C: -10.0\", \"15_Met_17_A: -9.2\", \"DORA_15_A: -10.0\", \"DORA_14_R: -10.4\", \"DORA_11_C: -10.3\", \"ORA_74: -9.0\", \"15_Met_19_B: -9.2\", \"DORA_13_D: -9.1\", \"D_Int_46: -9.1\", \"DORA_36: -9.9\", \"DORA_25_B: -10.1\", \"DORA_8_B: -10.4\", \"DORA_11_I: -9.6\", \"DORA_14_Q: -9.6\", \"D_Int_45: -9.1\", \"DORA_11_G: -10.2\", \"DORA_13_F: -9.2\", \"DORA_11_D: -9.7\", \"DORA_56: -9.8\", \"DORA_11_B: -9.3\", \"DORA_37_C: -10.4\", \"DORA_15_B: -10.2\", \"DORA_14_N: -10.1\", \"DORA_11_J: -9.4\", \"DORA_14_K: -10.1\", \"DORA_14_G: -9.3\", \"D_Int_48_C: -10.5\", \"DORA_14_H: -9.7\", \"DORA_14_M: -10.8\", \"DORA_37_B: -11.0\", \"DORA_9: -8.7\", \"DORA_34: -8.7\", \"DORA_11_A: -10.4\", \"15_Met_17_B: -9.2\", \"D_Int_48_B: -10.5\", \"DORA_24_B: -9.1\", \"DORA_14_O: -10.7\", \"DORA_11_K: -10.1\", \"DORA_35: -9.0\", \"D_Int_49_A: -10.5\", \"DORA_14_L: -10.6\", \"DORA_37_A: -10.7\", \"DORA_13_E: -9.5\", \"DORA_14_I: -10.2\", \"DORA_71: -10.4\", \"15_Met_19_D: -9.2\", \"DORA_21: -8.8\", \"DORA_25_A: -10.1\", \"D_Int_48_D: -10.0\", \"28_Met_32_B: -9.1\", \"DORA_26: -11.5\", \"DORA_7_A: -11.1\", \"D-analogue_41: -9.1\", \"DORA_28: -11.6\", \"D_Int_48_A: -10.0\", \"D_Int_47_B: -10.1\", \"DORA_24_A: -8.4\", \"DORA_38: -10.1\"], \"hoffset\": 0, \"voffset\": -20}, {\"type\": \"htmltooltip\", \"id\": \"el25365140414868704392\", \"labels\": [\"1_SORA_10_D: -9.2\", \"1_SORA_10_C: -9.1\", \"1_SORA_10_F: -9.2\", \"1_SORA_2_B: -9.2\", \"1_SORA_10_E: -9.2\", \"1_SORA_1: -9.2\", \"1_SORA_10_B: -9.2\", \"1_SORA_12_E: -9.2\", \"1_SORA_51_A: -9.1\", \"1_SORA_54: -9.2\", \"1_SORA_12_F: -9.1\", \"1_SORA_12_B: -9.2\", \"1_SORA_3: -9.2\", \"1_SORA_10_A: -9.1\", \"1_SORA_12_D: -9.6\", \"1_SORA_Nalfurfine: -9.2\", \"1_SORA_12_C: -9.1\", \"1_SORA_51_C: -9.1\", \"1_SORA_2_A: -9.2\", \"1_SORA_51_B: -9.1\", \"1_SORA_12_A: -9.2\"], \"hoffset\": 0, \"voffset\": -20}, {\"type\": \"htmltooltip\", \"id\": \"el25365140414868267808\", \"labels\": [\"1_SORA_54: -9.2\", \"1_SORA_2_A: -9.2\", \"1_SORA_12_E: -9.1\", \"1_SORA_10_A: -9.2\", \"1_SORA_51_A: -9.2\", \"1_SORA_3: -9.2\", \"1_SORA_10_B: -9.2\", \"1_SORA_12_D: -9.2\", \"1_SORA_2_B: -8.7\", \"1_SORA_10_C: -9.1\", \"1_SORA_51_B: -9.2\", \"1_SORA_10_D: -9.2\", \"1_SORA_51_C: -9.2\", \"1_SORA_Nalfurfine: -9.3\", \"1_SORA_12_C: -9.2\", \"1_SORA_10_F: -9.2\", \"1_SORA_12_F: -9.1\", \"1_SORA_1: -9.2\", \"1_SORA_12_B: -9.2\", \"1_SORA_12_A: -9.2\", \"1_SORA_10_E: -9.1\"], \"hoffset\": 0, \"voffset\": -20}, {\"type\": \"htmltooltip\", \"id\": \"el25365140414868748944\", \"labels\": [\"2_SORA_73_E: -9.2\", \"2_SORA_4: -9.1\", \"2_SORA_68: -9.2\", \"2_SORA_69: -9.2\", \"2_SORA_5_C: -9.1\", \"2_SORA_55_B: -9.2\", \"2_SORA_6: -9.2\", \"2_SORA_60: -9.1\", \"2_SORA_67: -9.1\", \"2_SORA_73_C: -9.2\", \"2_SORA_62: -9.2\", \"2_SORA_63: -9.2\", \"2_SORA_66: -9.1\", \"2_SORA_5_B: -9.1\", \"2_SORA_72: -9.2\", \"2_SORA_53_B: -9.2\", \"2_SORA_61: -9.1\", \"2_SORA_59: -9.1\", \"2_SORA_5_A: -9.2\", \"2_SORA_65: -9.1\", \"2_SORA_57_A: -9.2\", \"2_SORA_55_A: -9.1\", \"2_SORA_73_B: -9.1\", \"2_SORA_64: -9.2\", \"2_SORA_73_D: -9.2\", \"2_SORA_52: -8.7\", \"2_SORA_53_A: -9.1\", \"2_SORA_57_B: -9.2\", \"2_SORA_58: -9.1\", \"2_SORA_73_A: -9.1\"], \"hoffset\": 0, \"voffset\": -20}, {\"type\": \"htmltooltip\", \"id\": \"el25365140414868308936\", \"labels\": [\"2_SORA_6: -9.2\", \"2_SORA_67: -9.2\", \"2_SORA_55_B: -9.2\", \"2_SORA_60: -9.1\", \"2_SORA_53_A: -9.2\", \"2_SORA_64: -9.2\", \"2_SORA_65: -9.2\", \"2_SORA_63: -9.2\", \"2_SORA_73_A: -9.2\", \"2_SORA_69: -9.1\", \"2_SORA_59: -9.1\", \"2_SORA_66: -9.2\", \"2_SORA_55_A: -9.2\", \"2_SORA_72: -9.2\", \"2_SORA_73_E: -9.1\", \"2_SORA_57_A: -9.2\", \"2_SORA_53_B: -9.2\", \"2_SORA_52: -9.2\", \"2_SORA_61: -9.1\", \"2_SORA_68: -9.2\", \"2_SORA_5_B: -9.1\", \"2_SORA_73_B: -9.2\", \"2_SORA_5_A: -9.2\", \"2_SORA_5_C: -9.2\", \"2_SORA_58: -9.1\", \"2_SORA_62: -9.2\", \"2_SORA_4: -9.2\", \"2_SORA_57_B: -9.2\", \"2_SORA_73_D: -9.2\", \"2_SORA_73_C: -9.2\"], \"hoffset\": 0, \"voffset\": -20}]});\n",
" }(mpld3);\n",
"}else if(typeof define === \"function\" && define.amd){\n",
" // require.js is available: use it to load d3/mpld3\n",
" require.config({paths: {d3: \"https://mpld3.github.io/js/d3.v3.min\"}});\n",
" require([\"d3\"], function(d3){\n",
" window.d3 = d3;\n",
" mpld3_load_lib(\"https://mpld3.github.io/js/mpld3.v0.3.js\", function(){\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.draw_figure(\"fig_el253651404155061608884388396093\", {\"width\": 1008.0, \"height\": 1008.0, \"axes\": [{\"bbox\": [0.1021825396825397, 0.6967592592592593, 0.2232142857142857, 0.21990740740740744], \"xlim\": [1.5707955368543058, 5.018268210459607], \"ylim\": [-11.758506635105867, -7.7998877275062375], \"xdomain\": [1.5707955368543058, 5.018268210459607], \"ydomain\": [-11.758506635105867, -7.7998877275062375], \"xscale\": \"linear\", \"yscale\": \"linear\", \"axes\": [{\"position\": \"bottom\", \"nticks\": 9, \"tickvalues\": null, \"tickformat\": null, \"scale\": \"linear\", \"fontsize\": 10.0, \"grid\": {\"gridOn\": true, \"color\": \"#B2B2B2\", \"dasharray\": \"0.8,1.32\", \"alpha\": 1.0}, \"visible\": true}, {\"position\": \"left\", \"nticks\": 10, \"tickvalues\": null, \"tickformat\": null, \"scale\": \"linear\", \"fontsize\": 10.0, \"grid\": {\"gridOn\": true, \"color\": \"#B2B2B2\", \"dasharray\": \"0.8,1.32\", \"alpha\": 1.0}, \"visible\": true}], \"axesbg\": 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-9.2\", \"2_SORA_4: -9.1\", \"2_SORA_68: -9.2\", \"2_SORA_69: -9.2\", \"2_SORA_5_C: -9.1\", \"2_SORA_55_B: -9.2\", \"2_SORA_6: -9.2\", \"2_SORA_60: -9.1\", \"2_SORA_67: -9.1\", \"2_SORA_73_C: -9.2\", \"2_SORA_62: -9.2\", \"2_SORA_63: -9.2\", \"2_SORA_66: -9.1\", \"2_SORA_5_B: -9.1\", \"2_SORA_72: -9.2\", \"2_SORA_53_B: -9.2\", \"2_SORA_61: -9.1\", \"2_SORA_59: -9.1\", \"2_SORA_5_A: -9.2\", \"2_SORA_65: -9.1\", \"2_SORA_57_A: -9.2\", \"2_SORA_55_A: -9.1\", \"2_SORA_73_B: -9.1\", \"2_SORA_64: -9.2\", \"2_SORA_73_D: -9.2\", \"2_SORA_52: -8.7\", \"2_SORA_53_A: -9.1\", \"2_SORA_57_B: -9.2\", \"2_SORA_58: -9.1\", \"2_SORA_73_A: -9.1\"], \"hoffset\": 0, \"voffset\": -20}, {\"type\": \"htmltooltip\", \"id\": \"el25365140414868308936\", \"labels\": [\"2_SORA_6: -9.2\", \"2_SORA_67: -9.2\", \"2_SORA_55_B: -9.2\", \"2_SORA_60: -9.1\", \"2_SORA_53_A: -9.2\", \"2_SORA_64: -9.2\", \"2_SORA_65: -9.2\", \"2_SORA_63: -9.2\", \"2_SORA_73_A: -9.2\", \"2_SORA_69: -9.1\", \"2_SORA_59: -9.1\", \"2_SORA_66: -9.2\", \"2_SORA_55_A: -9.2\", \"2_SORA_72: -9.2\", \"2_SORA_73_E: -9.1\", \"2_SORA_57_A: -9.2\", \"2_SORA_53_B: -9.2\", \"2_SORA_52: -9.2\", \"2_SORA_61: -9.1\", \"2_SORA_68: -9.2\", \"2_SORA_5_B: -9.1\", \"2_SORA_73_B: -9.2\", \"2_SORA_5_A: -9.2\", \"2_SORA_5_C: -9.2\", \"2_SORA_58: -9.1\", \"2_SORA_62: -9.2\", \"2_SORA_4: -9.2\", \"2_SORA_57_B: -9.2\", \"2_SORA_73_D: -9.2\", \"2_SORA_73_C: -9.2\"], \"hoffset\": 0, \"voffset\": -20}]});\n",
" });\n",
" });\n",
"}else{\n",
" // require.js not available: dynamically load d3 & mpld3\n",
" mpld3_load_lib(\"https://mpld3.github.io/js/d3.v3.min.js\", function(){\n",
" mpld3_load_lib(\"https://mpld3.github.io/js/mpld3.v0.3.js\", function(){\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.register_plugin(\"htmltooltip\", HtmlTooltipPlugin);\n",
" HtmlTooltipPlugin.prototype = Object.create(mpld3.Plugin.prototype);\n",
" HtmlTooltipPlugin.prototype.constructor = HtmlTooltipPlugin;\n",
" HtmlTooltipPlugin.prototype.requiredProps = [\"id\"];\n",
" HtmlTooltipPlugin.prototype.defaultProps = {labels:null,\n",
" hoffset:0,\n",
" voffset:10};\n",
" function HtmlTooltipPlugin(fig, props){\n",
" mpld3.Plugin.call(this, fig, props);\n",
" };\n",
"\n",
" HtmlTooltipPlugin.prototype.draw = function(){\n",
" var obj = mpld3.get_element(this.props.id);\n",
" var labels = this.props.labels;\n",
" var tooltip = d3.select(\"body\").append(\"div\")\n",
" .attr(\"class\", \"mpld3-tooltip\")\n",
" .style(\"position\", \"absolute\")\n",
" .style(\"z-index\", \"10\")\n",
" .style(\"visibility\", \"hidden\");\n",
"\n",
" obj.elements()\n",
" .on(\"mouseover\", function(d, i){\n",
" tooltip.html(labels[i])\n",
" .style(\"visibility\", \"visible\");})\n",
" .on(\"mousemove\", function(d, i){\n",
" tooltip\n",
" .style(\"top\", d3.event.pageY + this.props.voffset + \"px\")\n",
" .style(\"left\",d3.event.pageX + this.props.hoffset + \"px\");\n",
" }.bind(this))\n",
" .on(\"mouseout\", function(d, i){\n",
" tooltip.style(\"visibility\", \"hidden\");});\n",
" };\n",
" \n",
" mpld3.draw_figure(\"fig_el253651404155061608884388396093\", {\"width\": 1008.0, \"height\": 1008.0, \"axes\": [{\"bbox\": [0.1021825396825397, 0.6967592592592593, 0.2232142857142857, 0.21990740740740744], \"xlim\": [1.5707955368543058, 5.018268210459607], \"ylim\": [-11.758506635105867, -7.7998877275062375], \"xdomain\": [1.5707955368543058, 5.018268210459607], \"ydomain\": [-11.758506635105867, -7.7998877275062375], \"xscale\": \"linear\", \"yscale\": \"linear\", \"axes\": [{\"position\": \"bottom\", \"nticks\": 9, \"tickvalues\": null, \"tickformat\": null, \"scale\": \"linear\", \"fontsize\": 10.0, \"grid\": {\"gridOn\": true, \"color\": \"#B2B2B2\", \"dasharray\": \"0.8,1.32\", \"alpha\": 1.0}, \"visible\": true}, {\"position\": \"left\", \"nticks\": 10, \"tickvalues\": null, \"tickformat\": null, \"scale\": \"linear\", \"fontsize\": 10.0, \"grid\": {\"gridOn\": true, \"color\": \"#B2B2B2\", \"dasharray\": \"0.8,1.32\", \"alpha\": 1.0}, \"visible\": true}], \"axesbg\": \"#FFFFFF\", \"axesbgalpha\": null, \"zoomable\": true, \"id\": \"el25365140415507358328\", \"lines\": [], \"paths\": [], \"markers\": [], \"texts\": [{\"text\": \"Average RMSD\", \"position\": [0.5, -0.1037593984962406], \"coordinates\": \"axes\", \"h_anchor\": \"middle\", \"v_baseline\": \"hanging\", \"rotation\": -0.0, \"fontsize\": 10.0, \"color\": \"#000000\", \"alpha\": 1, \"zorder\": 3, \"id\": \"el25365140415586172264\"}, {\"text\": \"Docking Score\", \"position\": [-0.22111111111111112, 0.5], \"coordinates\": \"axes\", \"h_anchor\": \"middle\", \"v_baseline\": \"auto\", \"rotation\": -90.0, \"fontsize\": 10.0, \"color\": \"#000000\", \"alpha\": 1, \"zorder\": 3, \"id\": \"el25365140415585821696\"}, {\"text\": \"DORA docked in 4S0V\", \"position\": [0.5, 1.0270676691729324], \"coordinates\": \"axes\", \"h_anchor\": \"middle\", \"v_baseline\": \"auto\", \"rotation\": -0.0, \"fontsize\": 12.0, \"color\": \"#000000\", \"alpha\": 1, \"zorder\": 3, \"id\": 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[\"#FFA500\"], \"facecolors\": [\"#FFA500\"], \"edgewidths\": [1.0], \"offsetcoordinates\": \"data\", \"pathcoordinates\": \"display\", \"zorder\": 1, \"id\": \"el25365140414888345896\"}, {\"offsets\": \"data04\", \"xindex\": 0, \"yindex\": 1, \"paths\": [[[[0.0, -0.5], [0.13260155, -0.5], [0.25978993539242673, -0.44731684579412084], [0.3535533905932738, -0.3535533905932738], [0.44731684579412084, -0.25978993539242673], [0.5, -0.13260155], [0.5, 0.0], [0.5, 0.13260155], [0.44731684579412084, 0.25978993539242673], [0.3535533905932738, 0.3535533905932738], [0.25978993539242673, 0.44731684579412084], [0.13260155, 0.5], [0.0, 0.5], [-0.13260155, 0.5], [-0.25978993539242673, 0.44731684579412084], [-0.3535533905932738, 0.3535533905932738], [-0.44731684579412084, 0.25978993539242673], [-0.5, 0.13260155], [-0.5, 0.0], [-0.5, -0.13260155], [-0.44731684579412084, -0.25978993539242673], [-0.3535533905932738, -0.3535533905932738], [-0.25978993539242673, -0.44731684579412084], [-0.13260155, -0.5], 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" })\n",
" });\n",
"}\n",
"</script>"
],
"text/plain": [
"<IPython.core.display.HTML object>"
]
},
"execution_count": 7,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# Set up subplot grid\n",
"fig, ((ax1, ax2, ax3), (ax4, ax5, ax6), (ax7, ax8, ax9)) = plt.subplots(nrows=3, ncols=3, figsize=(14,14))\n",
"plt.tight_layout(pad=8, w_pad=4, h_pad=6)\n",
"\n",
"# Make subplots\n",
"energy_rmsd_scatterplt(\"4S0V\", \"DORA\", ax1)\n",
"energy_rmsd_scatterplt(\"4S0V\", \"1SORA\", ax2)\n",
"energy_rmsd_scatterplt(\"4S0V\", \"2SORA\", ax3)\n",
"energy_rmsd_scatterplt(\"4ZJ8\", \"DORA\", ax4)\n",
"energy_rmsd_scatterplt(\"4ZJ8\", \"1SORA\", ax5)\n",
"energy_rmsd_scatterplt(\"4ZJ8\", \"2SORA\", ax6)\n",
"energy_rmsd_scatterplt(\"4ZJC\", \"DORA\", ax7)\n",
"energy_rmsd_scatterplt(\"4ZJC\", \"1SORA\", ax8)\n",
"energy_rmsd_scatterplt(\"4ZJC\", \"2SORA\", ax9)\n",
"\n",
"# Legend\n",
"vina_patch = mpatches.Patch(color='orange', label='Vina')\n",
"vinaXB_patch = mpatches.Patch(color='purple', label='Vina XB', alpha=0.6)\n",
"plt.legend(handles=[vina_patch, vinaXB_patch], prop={'size':13})\n",
"\n",
"mpld3.display()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Using Energy and average RMSD cutoffs to find top compounds"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"One option for selecting top ligands is to gilter those with the best docking scores, and the most consistent docking poses (i.e. average RMSD)."
]
},
{
"cell_type": "code",
"execution_count": 8,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Energy cutoff? -9.5\n",
"Average RMSD cutoff? 2.5\n",
"Vina:\n",
" {'4ZJ8': [('DORA_7_B', -12.3), ('DORA_14_K', -11.0), ('DORA_36', -10.9), ('DORA_37_A', -10.9), ('DORA_8_B', -10.8), ('DORA_14_J', -10.4), ('DORA_8_A', -10.4), ('DORA_11_J', -10.3), ('DORA_14_L', -10.3), ('DORA_71', -10.2), ('DORA_56', -10.2), ('DORA_11_D', -10.2), ('2_SORA_52', -10.0), ('15_Met_19_D', -10.0), ('DORA_11_L', -10.0), ('2_SORA_57_A', -10.0), ('2_SORA_58', -10.0), ('DORA_11_H', -10.0), ('2_SORA_5_B', -9.9), ('15_Met_18', -9.9), ('1_SORA_10_D', -9.9), ('15_Met_17_B', -9.9), ('2_SORA_73_D', -9.9), ('28_Met_32_B', -9.9), ('1_SORA_Nalfurfine', -9.9), ('2_SORA_57_B', -9.8), ('1_SORA_10_C', -9.8), ('1_SORA_51_B', -9.8), ('2_SORA_6', -9.8), ('1_SORA_3', -9.8), ('2_SORA_73_B', -9.8), ('2_SORA_5_A', -9.8), ('2_SORA_63', -9.8), ('2_SORA_4', -9.8), ('D_analogue_40', -9.8), ('1_SORA_12_E', -9.8), ('2_SORA_55_B', -9.8), ('2_SORA_72', -9.8), ('1_SORA_51_C', -9.8), ('15_Met_19_B', -9.8), ('1_SORA_12_D', -9.8), ('1_SORA_10_A', -9.8), ('1_SORA_12_F', -9.8), ('2_SORA_60', -9.8), ('1_SORA_12_A', -9.8), ('2_SORA_68', -9.8), ('1_SORA_2_A', -9.8), ('28_Met_32_A', -9.8), ('D_Int_45', -9.8), ('D_Int_46', -9.8), ('2_SORA_64', -9.8), ('15_Met_19_C', -9.8), ('15_Met_19_A', -9.8), ('D-analogue_41', -9.8), ('1_SORA_54', -9.8), ('2_SORA_53_A', -9.8), ('2_SORA_66', -9.8), ('2_SORA_62', -9.8), ('2_SORA_55_A', -9.8), ('2_SORA_73_E', -9.8), ('2_SORA_69', -9.8), ('15_Met_16', -9.8), ('1_SORA_51_A', -9.8), ('2_SORA_59', -9.8), ('2_SORA_73_C', -9.8), ('1_SORA_12_B', -9.8), ('DORA_14_H', -9.8), ('2_SORA_67', -9.8), ('1_SORA_1', -9.8), ('28_Met_31', -9.8), ('1_SORA_10_F', -9.8), ('1_SORA_12_C', -9.8), ('15_Met_17_A', -9.8), ('2_SORA_73_A', -9.8), ('2_SORA_61', -9.8), ('1_SORA_10_E', -9.7), ('2_SORA_65', -9.7), ('2_SORA_5_C', -9.7), ('1_SORA_10_B', -9.7), ('2_SORA_53_B', -9.7), ('DORA_14_O', -9.7), ('DORA_13_F', -9.6), ('DORA_14_G', -9.6), ('DORA_14_Q', -9.5)], '4ZJC': [('DORA_7_B', -11.2), ('DORA_7_A', -11.1), ('DORA_8_A', -10.9), ('DORA_14_M', -10.8), ('DORA_14_G', -10.7), ('DORA_14_O', -10.7), ('DORA_37_A', -10.7), ('DORA_14_L', -10.6), ('DORA_8_B', -10.5), ('DORA_14_R', -10.4), ('DORA_11_A', -10.4), ('DORA_14_I', -10.2), ('DORA_14_P', -10.1), ('DORA_14_J', -9.8), ('DORA_56', -9.8), ('DORA_11_I', -9.7), ('1_SORA_12_D', -9.6), ('DORA_14_Q', -9.6)], '4S0V': [('DORA_8_B', -11.3), ('DORA_56', -11.1), ('DORA_7_A', -11.1), ('D_Int_49_A', -10.8), ('DORA_7_B', -10.6), ('D_Int_48_B', -10.5), ('DORA_14_K', -10.4), ('DORA_11_J', -10.3), ('DORA_71', -10.2), ('DORA_14_O', -10.1), ('DORA_36', -10.0), ('DORA_14_G', -10.0), ('DORA_14_J', -10.0), ('DORA_11_I', -10.0), ('DORA_14_M', -9.9), ('DORA_11_B', -9.7), ('1_SORA_12_C', -9.7), ('2_SORA_55_B', -9.7), ('2_SORA_6', -9.7), ('DORA_11_D', -9.7), ('DORA_11_F', -9.6), ('15_Met_19_D', -9.6), ('2_SORA_53_A', -9.6), ('1_SORA_10_C', -9.6), ('2_SORA_52', -9.6), ('1_SORA_10_F', -9.6), ('15_Met_18', -9.6), ('2_SORA_55_A', -9.6), ('1_SORA_10_B', -9.6), ('2_SORA_73_B', -9.6), ('2_SORA_58', -9.6), ('2_SORA_5_B', -9.6), ('2_SORA_5_A', -9.6), ('2_SORA_59', -9.6), ('2_SORA_53_B', -9.6), ('1_SORA_12_A', -9.6), ('15_Met_16', -9.6), ('2_SORA_57_B', -9.6), ('2_SORA_67', -9.6), ('2_SORA_73_C', -9.6), ('28_Met_31', -9.6), ('1_SORA_12_E', -9.6), ('1_SORA_10_D', -9.6), ('28_Met_32_A', -9.6), ('1_SORA_12_B', -9.6), ('2_SORA_73_A', -9.6), ('15_Met_17_A', -9.6), ('2_SORA_65', -9.6), ('1_SORA_51_C', -9.6), ('1_SORA_10_E', -9.6), ('2_SORA_64', -9.6), ('2_SORA_5_C', -9.5), ('2_SORA_4', -9.5), ('2_SORA_61', -9.5), ('D-analogue_41', -9.5), ('2_SORA_62', -9.5), ('1_SORA_54', -9.5), ('2_SORA_66', -9.5), ('2_SORA_63', -9.5), ('2_SORA_69', -9.5), ('28_Met_32_B', -9.5), ('D_Int_46', -9.5), ('D_analogue_40', -9.5), ('1_SORA_Nalfurfine', -9.5), ('2_SORA_57_A', -9.5), ('2_SORA_72', -9.5), ('2_SORA_68', -9.5), ('15_Met_19_C', -9.5), ('1_SORA_51_B', -9.5), ('1_SORA_10_A', -9.5), ('15_Met_19_A', -9.5), ('DORA_14_P', -9.5)]}\n",
"\n",
"Vina XB:\n",
" {'4ZJ8': [('DORA_7_B', -12.3), ('DORA_14_K', -11.0), ('DORA_36', -10.9), ('DORA_8_B', -10.8), ('DORA_14_J', -10.4), ('DORA_14_I', -10.4), ('DORA_11_J', -10.3), ('DORA_8_A', -10.3), ('DORA_14_L', -10.2), ('DORA_71', -10.2), ('DORA_56', -10.2), ('DORA_11_D', -10.1), ('2_SORA_55_B', -10.0), ('DORA_11_L', -10.0), ('DORA_11_H', -10.0), ('1_SORA_10_B', -10.0), ('D_analogue_40', -9.9), ('1_SORA_12_E', -9.9), ('2_SORA_6', -9.9), ('15_Met_19_C', -9.9), ('28_Met_32_A', -9.9), ('2_SORA_4', -9.9), ('1_SORA_10_A', -9.9), ('2_SORA_67', -9.9), ('D_Int_46', -9.9), ('DORA_14_H', -9.9), ('15_Met_17_A', -9.8), ('2_SORA_66', -9.8), ('2_SORA_59', -9.8), ('2_SORA_69', -9.8), ('15_Met_17_B', -9.8), ('15_Met_19_B', -9.8), ('15_Met_18', -9.8), ('1_SORA_51_A', -9.8), ('2_SORA_64', -9.8), ('28_Met_31', -9.8), ('D-analogue_41', -9.8), ('2_SORA_52', -9.8), ('2_SORA_73_D', -9.8), ('2_SORA_68', -9.8), ('1_SORA_12_D', -9.8), ('2_SORA_65', -9.8), ('1_SORA_10_D', -9.8), ('2_SORA_63', -9.8), ('1_SORA_1', -9.8), ('1_SORA_12_F', -9.8), ('1_SORA_51_C', -9.8), ('1_SORA_10_E', -9.8), ('1_SORA_10_C', -9.8), ('2_SORA_55_A', -9.8), ('2_SORA_53_A', -9.8), ('1_SORA_12_C', -9.8), ('2_SORA_60', -9.8), ('15_Met_19_A', -9.8), ('1_SORA_54', -9.8), ('2_SORA_72', -9.8), ('1_SORA_2_A', -9.8), ('28_Met_32_B', -9.8), ('1_SORA_3', -9.8), ('1_SORA_12_A', -9.8), ('2_SORA_5_C', -9.8), ('2_SORA_73_E', -9.8), ('2_SORA_57_B', -9.8), ('2_SORA_58', -9.8), ('15_Met_16', -9.8), ('15_Met_19_D', -9.8), ('2_SORA_73_C', -9.8), ('1_SORA_Nalfurfine', -9.8), ('2_SORA_5_B', -9.8), ('2_SORA_53_B', -9.8), ('D_Int_45', -9.8), ('1_SORA_10_F', -9.8), ('1_SORA_51_B', -9.8), ('DORA_11_C', -9.7), ('2_SORA_57_A', -9.7), ('2_SORA_73_A', -9.7), ('1_SORA_12_B', -9.7), ('2_SORA_62', -9.7), ('2_SORA_73_B', -9.7), ('2_SORA_5_A', -9.7), ('DORA_14_O', -9.7), ('DORA_14_Q', -9.6), ('DORA_14_G', -9.6), ('DORA_22', -9.5)], '4ZJC': [('DORA_7_B', -11.2), ('DORA_14_M', -10.8), ('DORA_14_O', -10.7), ('DORA_37_A', -10.7), ('DORA_71', -10.4), ('DORA_8_B', -10.4), ('DORA_14_R', -10.4), ('DORA_14_I', -10.2), ('DORA_14_P', -10.1), ('DORA_14_N', -10.1), ('DORA_14_K', -10.1), ('DORA_56', -9.8), ('DORA_11_L', -9.8), ('DORA_14_J', -9.8), ('DORA_14_H', -9.7), ('DORA_11_D', -9.7), ('DORA_11_I', -9.6), ('DORA_14_Q', -9.6)], '4S0V': [('DORA_7_B', -11.5), ('DORA_8_B', -11.3), ('DORA_8_A', -11.2), ('DORA_56', -11.1), ('DORA_7_A', -11.1), ('DORA_71', -10.4), ('DORA_14_K', -10.4), ('DORA_11_J', -10.1), ('DORA_14_O', -10.1), ('D_Int_48_D', -10.1), ('DORA_11_I', -10.0), ('DORA_14_J', -10.0), ('DORA_14_G', -9.9), ('DORA_14_M', -9.8), ('DORA_11_B', -9.7), ('1_SORA_12_D', -9.7), ('DORA_11_D', -9.7), ('1_SORA_10_C', -9.7), ('1_SORA_51_B', -9.7), ('1_SORA_10_F', -9.7), ('2_SORA_73_A', -9.7), ('1_SORA_12_E', -9.6), ('15_Met_19_B', -9.6), ('2_SORA_5_C', -9.6), ('1_SORA_10_B', -9.6), ('DORA_11_F', -9.6), ('1_SORA_2_A', -9.6), ('2_SORA_66', -9.6), ('2_SORA_61', -9.6), ('D_Int_46', -9.6), ('2_SORA_60', -9.6), ('15_Met_19_A', -9.6), ('1_SORA_3', -9.6), ('2_SORA_69', -9.6), ('2_SORA_62', -9.6), ('2_SORA_68', -9.6), ('28_Met_32_A', -9.6), ('2_SORA_73_E', -9.6), ('1_SORA_Nalfurfine', -9.6), ('D_Int_45', -9.6), ('15_Met_19_D', -9.6), ('2_SORA_73_B', -9.6), ('2_SORA_67', -9.6), ('2_SORA_57_B', -9.6), ('2_SORA_58', -9.6), ('DORA_11_E', -9.6), ('2_SORA_55_B', -9.6), ('1_SORA_10_E', -9.6), ('15_Met_16', -9.6), ('DORA_11_H', -9.6), ('15_Met_17_B', -9.6), ('15_Met_19_C', -9.5), ('1_SORA_12_A', -9.5), ('2_SORA_5_B', -9.5), ('2_SORA_6', -9.5), ('1_SORA_54', -9.5), ('2_SORA_73_D', -9.5), ('1_SORA_10_A', -9.5), ('1_SORA_12_C', -9.5), ('1_SORA_1', -9.5), ('2_SORA_5_A', -9.5), ('2_SORA_64', -9.5), ('15_Met_17_A', -9.5), ('28_Met_31', -9.5), ('2_SORA_53_A', -9.5), ('1_SORA_51_C', -9.5), ('1_SORA_51_A', -9.5), ('1_SORA_12_F', -9.5), ('2_SORA_55_A', -9.5), ('28_Met_32_B', -9.5), ('2_SORA_72', -9.5), ('2_SORA_57_A', -9.5)]}\n"
]
}
],
"source": [
"def get_top_scores(dock_results, energy_cutoff=0, rmsd_cuttoff=5):\n",
" \"\"\"Returns the ligand name and energy of the top scoring compounds.\"\"\"\n",
" top_scores = {}\n",
" for receptor in dock_results:\n",
" # Sort by average RMSD\n",
" vinaparse.sort_by_avg_rmsd(dock_results[receptor])\n",
" # Sort by free energy score\n",
" vinaparse.sort_by_energy(dock_results[receptor])\n",
" \n",
" top_scores[receptor] = [(result.ligand, result.get_top_score()) for result in dock_results[receptor]\n",
" if result.get_top_score() <= energy_cutoff and result.get_avg_rmsd() <= rmsd_cuttoff]\n",
" return top_scores\n",
"\n",
"\n",
"# Get the top compounds\n",
"c = float(input(\"Energy cutoff? \"))\n",
"d = float(input(\"Average RMSD cutoff? \"))\n",
"vina_top_scores = get_top_scores(vina_results, c, d)\n",
"vinaXB_top_scores = get_top_scores(vinaXB_results, c, d)\n",
" \n",
"print(\"Vina:\\n\", vina_top_scores)\n",
"print(\"\\nVina XB:\\n\", vinaXB_top_scores)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Using the score of suvorexant (DORA39) as the cutoff"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"As seen above, using docking score and RMSD cutoffs produces too many hits, so another option is to use the docking score of suvorexant, currently the only clinically-approved orexin inhibitor, as a cuttoff."
]
},
{
"cell_type": "code",
"execution_count": 9,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Vina:\n",
" {'4ZJ8': [('DORA_7_B', -12.3), ('DORA_7_A', -11.8), ('DORA_28', -11.7), ('DORA_26', -11.4), ('D_Int_49_C', -11.3), ('D_Int_49_B', -11.1), ('DORA_14_K', -11.0), ('DORA_36', -10.9), ('DORA_37_A', -10.9), ('D_Int_48_A', -10.9), ('DORA_8_B', -10.8), ('DORA_37_B', -10.8), ('DORA_14_M', -10.7), ('D_Int_49_D', -10.7), ('DORA_37_C', -10.7), ('D_Int_49_A', -10.7), ('D_Int_48_C', -10.6), ('DORA_15_B', -10.6), ('D_Int_48_B', -10.6), ('DORA_14_J', -10.4), ('DORA_8_A', -10.4), ('DORA_14_I', -10.4), ('DORA_11_J', -10.3), ('DORA_14_L', -10.3), ('DORA_11_E', -10.3), ('DORA_38', -10.3), ('DORA_15_A', -10.3), ('D_Int_47_A', -10.3), ('DORA_71', -10.2), ('DORA_56', -10.2), ('DORA_11_D', -10.2), ('DORA_33', -10.2), ('DORA_39', -10.2), ('DORA_15_C', -10.2)], '4ZJC': [('DORA_28', -11.6), ('DORA_26', -11.5), ('DORA_7_B', -11.2), ('DORA_7_A', -11.1), ('D_Int_49_C', -11.1), ('DORA_37_B', -11.0), ('DORA_8_A', -10.9), ('DORA_14_M', -10.8), ('DORA_14_G', -10.7), ('DORA_14_O', -10.7), ('DORA_37_A', -10.7), ('D_Int_49_D', -10.7), ('DORA_14_L', -10.6), ('DORA_14_H', -10.6), ('DORA_8_B', -10.5), ('DORA_11_G', -10.5), ('D_Int_48_C', -10.5), ('D_Int_48_B', -10.5), ('DORA_14_R', -10.4), ('DORA_11_A', -10.4), ('DORA_71', -10.4), ('D_Int_49_A', -10.4), ('DORA_39', -10.4), ('DORA_37_C', -10.4)], '4S0V': [('DORA_37_B', -11.5), ('DORA_8_B', -11.3), ('DORA_8_A', -11.2), ('DORA_37_C', -11.2), ('DORA_56', -11.1), ('DORA_7_A', -11.1), ('D_Int_49_A', -10.8), ('D_Int_48_A', -10.8), ('D_Int_49_D', -10.8), ('D_Int_49_B', -10.7), ('DORA_37_A', -10.7), ('DORA_7_B', -10.6), ('D_Int_49_C', -10.6), ('D_Int_48_B', -10.5), ('DORA_39', -10.5), ('DORA_26', -10.5), ('DORA_28', -10.5)]}\n",
"\n",
"Vina XB:\n",
" {'4ZJ8': [('DORA_7_B', -12.3), ('DORA_7_A', -11.7), ('DORA_28', -11.7), ('DORA_26', -11.4), ('D_Int_49_C', -11.3), ('DORA_14_K', -11.0), ('D_Int_49_B', -11.0), ('DORA_36', -10.9), ('D_Int_48_A', -10.9), ('DORA_8_B', -10.8), ('DORA_37_A', -10.8), ('DORA_37_B', -10.8), ('DORA_14_M', -10.7), ('D_Int_49_D', -10.7), ('DORA_37_C', -10.7), ('D_Int_49_A', -10.7), ('D_Int_48_B', -10.6), ('DORA_15_B', -10.6), ('DORA_14_J', -10.4), ('DORA_14_I', -10.4), ('DORA_11_J', -10.3), ('DORA_8_A', -10.3), ('DORA_11_G', -10.3), ('DORA_11_E', -10.3), ('DORA_38', -10.3), ('DORA_33', -10.3), ('DORA_15_A', -10.3), ('D_Int_47_A', -10.3), ('DORA_14_L', -10.2), ('DORA_71', -10.2), ('DORA_56', -10.2), ('DORA_39', -10.2), ('D_Int_48_C', -10.2), ('DORA_15_C', -10.2)], '4ZJC': [('DORA_28', -11.6), ('DORA_26', -11.5), ('DORA_7_B', -11.2), ('D_Int_49_C', -11.2), ('DORA_7_A', -11.1), ('DORA_8_A', -11.0), ('DORA_37_B', -11.0), ('DORA_14_M', -10.8), ('DORA_14_O', -10.7), ('DORA_37_A', -10.7), ('D_Int_49_D', -10.7), ('DORA_14_L', -10.6), ('D_Int_48_C', -10.5), ('D_Int_49_A', -10.5), ('D_Int_48_B', -10.5), ('DORA_71', -10.4), ('DORA_8_B', -10.4), ('DORA_14_R', -10.4), ('DORA_11_A', -10.4), ('DORA_37_C', -10.4), ('DORA_39', -10.4)], '4S0V': [('DORA_7_B', -11.5), ('DORA_37_B', -11.5), ('DORA_8_B', -11.3), ('DORA_8_A', -11.2), ('DORA_37_C', -11.2), ('DORA_56', -11.1), ('DORA_7_A', -11.1), ('D_Int_49_D', -10.9), ('D_Int_49_A', -10.8), ('D_Int_48_A', -10.8), ('D_Int_49_B', -10.7), ('DORA_37_A', -10.7), ('D_Int_49_C', -10.6), ('DORA_39', -10.6)]}\n"
]
}
],
"source": [
"def get_top_scores(dock_results):\n",
" \"\"\"Returns the ligand name and energy of the top scoring compounds.\"\"\"\n",
" top_scores = {}\n",
" for receptor in dock_results:\n",
" # Sort by average RMSD\n",
" vinaparse.sort_by_avg_rmsd(dock_results[receptor])\n",
" # Sort by free energy score\n",
" vinaparse.sort_by_energy(dock_results[receptor])\n",
" # Find the energy of Suvorexant\n",
" suv_score = [compound.get_top_score() for compound in dock_results[receptor] if compound.ligand == \"DORA_39\"][0] \n",
" top_scores[receptor] = [(result.ligand, result.get_top_score()) for result in dock_results[receptor]\n",
" if result.get_top_score() <= suv_score]\n",
" return top_scores\n",
"\n",
"\n",
"# Get the top compounds\n",
"vina_top_scores = get_top_scores(vina_results)\n",
"vinaXB_top_scores = get_top_scores(vinaXB_results)\n",
" \n",
"print(\"Vina:\\n\", vina_top_scores)\n",
"print(\"\\nVina XB:\\n\", vinaXB_top_scores)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Comparing top compounds across receptors"
]
},
{
"cell_type": "code",
"execution_count": 10,
"metadata": {},
"outputs": [
{
"data": {
"image/png": 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lFqcxax52q/VYkjAPCLkZ1xyMAH3Yw3Y6ga5KSia07ioMTRyU6yQmAeyCd5Hz1YLdbVsJ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\nQgixoP8PqvBT8kM3qhQAAAAASUVORK5CYII=\n",
"text/plain": [
"<matplotlib.figure.Figure at 0x7fb4e26a50f0>"
]
},
"metadata": {},
"output_type": "display_data"
}
],
"source": [
"from matplotlib_venn import venn3\n",
"\n",
"\n",
"def make_venn(top_scores, tool, ax):\n",
" # Make sets\n",
" set1 = set([result[0] for result in top_scores[\"4S0V\"]])\n",
" set2 = set([result[0] for result in top_scores[\"4ZJ8\"]])\n",
" set3 = set([result[0] for result in top_scores[\"4ZJC\"]])\n",
"\n",
" # Make venn diagram\n",
" venn3([set1, set2, set3], set_labels=('4S0V', '4ZJ8', '4ZJC'), ax=ax)\n",
" ax.set_title( tool + \" Top Compunds\")\n",
"\n",
"\n",
"# Setup subplots\n",
"fig, axes = plt.subplots(nrows=1, ncols=2, figsize=(14, 7))\n",
"plt.tight_layout(pad=8, w_pad=4, h_pad=0)\n",
"\n",
"make_venn(vina_top_scores, \"Vina\", axes[0])\n",
"make_venn(vinaXB_top_scores, \"VinaXB\", axes[1])\n",
"plt.show()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Writing top compounds to a file"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Export the ligand name and best docking score of each top compound to a tab delimited file."
]
},
{
"cell_type": "code",
"execution_count": 11,
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"import csv\n",
"\n",
"\n",
"def write_tsv(data_list, name):\n",
" \"\"\"Takes a list of tuples and writes a tsv file.\"\"\"\n",
" for receptor in data_list:\n",
" with open( name + \"_\" + receptor + \".tsv\", \"w\") as outfile:\n",
" w = csv.writer(outfile, delimiter=\"\\t\")\n",
" w.writerows(data_list[receptor])\n",
"\n",
" \n",
"write_tsv(vina_top_scores, \"vina\")\n",
"write_tsv(vinaXB_top_scores, \"vinaXB\")"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Get the top compounds across all receptors"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"['DORA_7_A',\n",
" 'DORA_28',\n",
" 'DORA_37_B',\n",
" 'DORA_37_A',\n",
" 'DORA_7_B',\n",
" 'D_Int_49_A',\n",
" 'D_Int_49_D',\n",
" 'DORA_8_A',\n",
" 'D_Int_48_B',\n",
" 'D_Int_49_C',\n",
" 'DORA_37_C',\n",
" 'DORA_26',\n",
" 'DORA_8_B',\n",
" 'DORA_39']"
]
},
"execution_count": 12,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# Getting the intersection of all nine sets\n",
"vina_leads = list(set([result[0] for result in vina_top_scores[\"4S0V\"]]) &\n",
" set([result[0] for result in vina_top_scores[\"4ZJ8\"]]) &\n",
" set([result[0] for result in vina_top_scores[\"4ZJC\"]]))\n",
"\n",
"vinaXB_leads = list(set([result[0] for result in vinaXB_top_scores[\"4S0V\"]]) &\n",
" set([result[0] for result in vinaXB_top_scores[\"4ZJ8\"]]) &\n",
" set([result[0] for result in vinaXB_top_scores[\"4ZJC\"]]))\n",
"\n",
"common_leads = list(set(vina_leads) | set(vinaXB_leads))\n",
"common_leads"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Extract the top docking poses for common leads"
]
},
{
"cell_type": "code",
"execution_count": 13,
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"def get_lead_poses(dock_results):\n",
" \"\"\"Returns a list of pdbqt files from a list of ligand names.\"\"\"\n",
" lead_poses = []\n",
" for compound in common_leads:\n",
" for result in dock_results:\n",
" if result.ligand == compound:\n",
" lead_poses.append(result.extract_top_pose())\n",
" break\n",
" return lead_poses\n",
"\n",
"\n",
"vina_4S0V_leads = get_lead_poses(vina_results['4S0V'])\n",
"vina_4ZJ8_leads = get_lead_poses(vina_results['4ZJ8'])\n",
"vina_4ZJC_leads = get_lead_poses(vina_results['4ZJC'])\n",
"vinaXB_4S0V_leads = get_lead_poses(vinaXB_results['4S0V'])\n",
"vinaXB_4ZJ8_leads = get_lead_poses(vinaXB_results['4ZJ8'])\n",
"vinaXB_4ZJC_leads = get_lead_poses(vinaXB_results['4ZJC'])"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Calculate RMSD between top vina and vinaXB poses"
]
},
{
"cell_type": "code",
"execution_count": 14,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"4S0V\n",
"=========================\n",
"Ligand RMSD\n",
"=========================\n",
"DORA_7_A \t 0.0667\n",
"DORA_28 \t 0.0517\n",
"DORA_37_B \t 0.0309\n",
"DORA_37_A \t 0.0699\n",
"DORA_7_B \t 3.5111\n",
"D_Int_49_A \t 0.0455\n",
"D_Int_49_D \t 0.075\n",
"DORA_8_A \t 0.0313\n",
"D_Int_48_B \t 0.0684\n",
"D_Int_49_C \t 0.0298\n",
"DORA_37_C \t 0.0095\n",
"DORA_26 \t 0.0136\n",
"DORA_8_B \t 0.0976\n",
"DORA_39 \t 0.0721\n",
"\n",
"\n",
"4ZJ8\n",
"=========================\n",
"Ligand RMSD\n",
"=========================\n",
"DORA_7_A \t 0.0676\n",
"DORA_28 \t 0.0165\n",
"DORA_37_B \t 0.0169\n",
"DORA_37_A \t 0.0145\n",
"DORA_7_B \t 0.0145\n",
"D_Int_49_A \t 0.0636\n",
"D_Int_49_D \t 0.0201\n",
"DORA_8_A \t 0.0432\n",
"D_Int_48_B \t 0.272\n",
"D_Int_49_C \t 0.1054\n",
"DORA_37_C \t 0.0546\n",
"DORA_26 \t 0.0521\n",
"DORA_8_B \t 0.0806\n",
"DORA_39 \t 0.0268\n",
"\n",
"\n",
"4ZJC\n",
"=========================\n",
"Ligand RMSD\n",
"=========================\n",
"DORA_7_A \t 0.0122\n",
"DORA_28 \t 0.0626\n",
"DORA_37_B \t 0.0226\n",
"DORA_37_A \t 0.044\n",
"DORA_7_B \t 0.0602\n",
"D_Int_49_A \t 0.1246\n",
"D_Int_49_D \t 0.0156\n",
"DORA_8_A \t 0.0767\n",
"D_Int_48_B \t 0.0532\n",
"D_Int_49_C \t 0.8031\n",
"DORA_37_C \t 0.0502\n",
"DORA_26 \t 0.0216\n",
"DORA_8_B \t 0.0828\n",
"DORA_39 \t 0.134\n",
"\n",
"\n"
]
}
],
"source": [
"import rmsd\n",
"\n",
"\n",
"def calc_rmsd(list1, list2):\n",
" \"\"\"Calculates the rmsd between each pair of ligands in two lists of poses.\"\"\"\n",
" rmsd_list = []\n",
" for i in range(0, len(common_leads)):\n",
" m1 = rmsd.convert_to_Mol2(list1[i], ext=\"pdbqt\")\n",
" m2 = rmsd.convert_to_Mol2(list2[i], ext=\"pdbqt\")\n",
" rmsd_list.append(rmsd.get_rmsd(m1, m2))\n",
" print(\"=========================\")\n",
" print(\"Ligand RMSD\")\n",
" print(\"=========================\")\n",
" for i in range(0, len(common_leads)):\n",
" print(common_leads[i], \"\\t\", rmsd_list[i])\n",
" print(\"\\n\")\n",
"\n",
"print(\"4S0V\")\n",
"calc_rmsd(vina_4S0V_leads, vinaXB_4S0V_leads)\n",
"print(\"4ZJ8\")\n",
"calc_rmsd(vina_4ZJ8_leads, vinaXB_4ZJ8_leads)\n",
"print(\"4ZJC\")\n",
"calc_rmsd(vina_4ZJC_leads, vinaXB_4ZJC_leads)"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
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},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.2"
}
},
"nbformat": 4,
"nbformat_minor": 2
}
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