UnixJunkie chemoinfo_recipes issues - Githubissues

UnixJunkie / chemoinfo_recipes

Command line recipes for the working chemoinformatician

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protonate for given pH using obabel

#5 UnixJunkie closed 4 years ago
1
methyl scan; sodium scan; alcohol scan

#4 UnixJunkie closed 5 years ago
2
some openeye commands

#3 UnixJunkie opened 5 years ago
1
smi2svg and/or smi2eps

#2 UnixJunkie closed 6 years ago
1
format the file properly

#1 UnixJunkie opened 6 years ago
1