bougui505

ligand_atom_file                                             LIG
limit_max_ligands                                            no
skip_molecule                                                no
read_mol_solvation                                           no
calculate_rmsd                                               no
use_database_filter                                          no
orient_ligand                                                no
use_internal_energy                                          no
flexible_ligand                                              no
bump_filter                                                  no

bougui505

find -name "* *" -type d | rename 's/ /_/g'    # do the directories first
find -name "* *" -type f | rename 's/ /_/g'

bougui505

egrep -o '\bincludegraphics([^}]*\})?' file.tex | egrep -o '\{.+\}' | sed 's/{\|}//g'

bougui505

egrep 'input{.*}' file.tex | grep -o '{.*}' | sed 's/{\|}//g'

bougui505

git diff 14156a8430ebef7dfaf59d249dc1a5d864ebf71c -- SOM2.py

bougui505

#!/usr/bin/env sh
maintexfile=$1
includefile=$2
rootfilename=$(echo $includefile | cut -d. -f1)
(grep -B9999 'begin{document}' $maintexfile && echo " " && echo "\include{$rootfilename}" && echo "\\end{document}") > header.tex
latexmk -pdf -pvc header.tex

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#!/usr/bin/env sh
filename=$1
grep -B9999 'begin{document}' $filename && echo ' ' && echo '\end{document}'

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#To compile with:
# latexmk -outdir=outdir -pdf BOUVIER_Guillaume_dossier_MCF.tex
BOUVIER_Guillaume_audition_COMESP.pdf
outdir
.trash
*.swp
*.aux
*.bbl
*.blg
*.fdb_latexmk

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from sklearn import mixture
%pylab

def fit_mixture(data, ncomp=2, doplot=False):
    clf = mixture.GMM(n_components=ncomp, covariance_type='full')
    clf.fit(data)
    ml = clf.means_
    wl = clf.weights_
    cl = clf.covars_
    ms = [m[0] for m in ml]

bougui505

#!/usr/bin/env python
# Clone or update all a user's gists
# curl -ks https://raw.github.com/gist/5466075/gist-backup.py | USER=fedir python
# USER=fedir python gist-backup.py
# From: http://stackoverflow.com/a/16233710/1679629

import json
import urllib
from subprocess import call
from urllib import urlopen