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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 |
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find -name "* *" -type d | rename 's/ /_/g' # do the directories first | |
find -name "* *" -type f | rename 's/ /_/g' |
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egrep -o '\bincludegraphics([^}]*\})?' file.tex | egrep -o '\{.+\}' | sed 's/{\|}//g' |
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egrep 'input{.*}' file.tex | grep -o '{.*}' | sed 's/{\|}//g' |
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git diff 14156a8430ebef7dfaf59d249dc1a5d864ebf71c -- SOM2.py |
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#!/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] |
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#!/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 |
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