Created
September 7, 2022 04:51
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github5397.ipynb
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{ | |
"cells": [ | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"id": "68656ce6", | |
"cell_type": "code", | |
"source": "from rdkit import Chem\nfrom rdkit.Chem.MolStandardize import rdMolStandardize\nfrom rdkit.Chem import Draw\nfrom rdkit.Chem.Draw import IPythonConsole\n\nimport rdkit\nprint(rdkit.__version__)\n\n", | |
"execution_count": 1, | |
"outputs": [ | |
{ | |
"output_type": "stream", | |
"text": "2022.09.1pre\n", | |
"name": "stdout" | |
} | |
] | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"id": "e57eeb93", | |
"cell_type": "code", | |
"source": "enumerator = rdMolStandardize.TautomerEnumerator()\n", | |
"execution_count": 2, | |
"outputs": [] | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"id": "7fc4a630", | |
"cell_type": "code", | |
"source": "smiles = 'c1ccc([C@@H](CC2=NCCN2)c2ccccn2)cc1'\nmol = Chem.MolFromSmiles(smiles)\nsmiles2 = 'C([C@H](C1=CC=CC=C1)C2=NC=CC=C2)C3=NCCN3'\nmol2 = Chem.MolFromSmiles(smiles2)\n\nIPythonConsole.kekulizeStructures = False\nIPythonConsole.drawOptions.prepareMolsBeforeDrawing = False\nDraw.MolsToGridImage([mol,mol2])", | |
"execution_count": 10, | |
"outputs": [ | |
{ | |
"output_type": "execute_result", | |
"execution_count": 10, | |
"data": { | |
"image/png": 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\n", | |
"text/plain": "<IPython.core.display.Image object>" | |
}, | |
"metadata": {} | |
} | |
] | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"id": "1fdeb748", | |
"cell_type": "code", | |
"source": "from rdkit import rdBase\nrdBase.EnableLog('rdApp.info')\nenumerator.Canonicalize(mol)", | |
"execution_count": 4, | |
"outputs": [ | |
{ | |
"output_type": "execute_result", | |
"execution_count": 4, | |
"data": { | |
"text/plain": "<rdkit.Chem.rdchem.Mol at 0x257b1272a00>", | |
"image/png": 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\n" | |
}, | |
"metadata": {} | |
} | |
] | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"id": "a9d45ee9", | |
"cell_type": "code", | |
"source": "enumerator.Canonicalize(mol2)", | |
"execution_count": 5, | |
"outputs": [ | |
{ | |
"output_type": "execute_result", | |
"execution_count": 5, | |
"data": { | |
"text/plain": "<rdkit.Chem.rdchem.Mol at 0x257b499e8e0>", | |
"image/png": 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\n" | |
}, | |
"metadata": {} | |
} | |
] | |
}, | |
{ | |
"metadata": {}, | |
"cell_type": "markdown", | |
"source": "The difference is coming because mol2 matches the \"special imine\" rule, whereas mol1 does not" | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"cell_type": "code", | |
"source": "iminineQ = Chem.MolFromSmarts('[C&z0&R0&X4&!H0]-c=[n&z0]')\nmol.HasSubstructMatch(iminineQ),mol2.HasSubstructMatch(iminineQ)", | |
"execution_count": 7, | |
"outputs": [ | |
{ | |
"output_type": "execute_result", | |
"execution_count": 7, | |
"data": { | |
"text/plain": "(False, False)" | |
}, | |
"metadata": {} | |
} | |
] | |
}, | |
{ | |
"metadata": {}, | |
"cell_type": "markdown", | |
"source": "This is probably due to a difference in the kekulized structures of the two molecules. Confirm that:" | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"cell_type": "code", | |
"source": "kmol = Chem.Mol(mol)\nChem.Kekulize(kmol)\nkmol2 = Chem.Mol(mol2)\nChem.Kekulize(kmol2)\nkmol.HasSubstructMatch(iminineQ),kmol2.HasSubstructMatch(iminineQ)", | |
"execution_count": null, | |
"outputs": [] | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"cell_type": "code", | |
"source": "Draw.MolsToGridImage([kmol,kmol2])", | |
"execution_count": 12, | |
"outputs": [ | |
{ | |
"output_type": "execute_result", | |
"execution_count": 12, | |
"data": { | |
"image/png": 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\n", | |
"text/plain": "<IPython.core.display.Image object>" | |
}, | |
"metadata": {} | |
} | |
] | |
}, | |
{ | |
"metadata": {}, | |
"cell_type": "markdown", | |
"source": "Yep, they are different" | |
}, | |
{ | |
"metadata": { | |
"trusted": true | |
}, | |
"cell_type": "code", | |
"source": "", | |
"execution_count": null, | |
"outputs": [] | |
} | |
], | |
"metadata": { | |
"kernelspec": { | |
"name": "python3", | |
"display_name": "Python 3 (ipykernel)", | |
"language": "python" | |
}, | |
"language_info": { | |
"name": "python", | |
"version": "3.9.13", | |
"mimetype": "text/x-python", | |
"codemirror_mode": { | |
"name": "ipython", | |
"version": 3 | |
}, | |
"pygments_lexer": "ipython3", | |
"nbconvert_exporter": "python", | |
"file_extension": ".py" | |
}, | |
"toc": { | |
"nav_menu": {}, | |
"number_sections": true, | |
"sideBar": true, | |
"skip_h1_title": false, | |
"base_numbering": 1, | |
"title_cell": "Table of Contents", | |
"title_sidebar": "Contents", | |
"toc_cell": false, | |
"toc_position": {}, | |
"toc_section_display": true, | |
"toc_window_display": false | |
}, | |
"gist": { | |
"id": "", | |
"data": { | |
"description": "github5397.ipynb", | |
"public": true | |
} | |
} | |
}, | |
"nbformat": 4, | |
"nbformat_minor": 5 | |
} |
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