Re: [Open Babel] Substructure search with .fs generated with FP3, FP4 and MACCS fingerprints

#FP3 uses a series of SMARTS queries stored in patterns.txt #FP4 uses a series of SMARTS queries stored in SMARTS_InteLigand.txt #MACCS uses the SMARTS patterns in MACCS.txt So, if with a FP2 .fs file the searches are like this babel mymols.fs -ifs -sN#Cc1c1C#N results.smi i think with a .fs

Re: [Open Babel] Substructure search with .fs generated with FP3, FP4 and MACCS fingerprints

Mmm > On 02/02/2012 19:15, David García Aristegui wrote: >> Here are examples with .fs generated with the default fingerprint, FP2 >> http://openbabel.org/docs/dev/Fingerprints/fingerprints.html >> >> Is different the way to do a substructure search in a .fs generated >> with >> FP3, FP4 or M

Re: [Open Babel] Substructure search with .fs generated with FP3, FP4 and MACCS fingerprints

On 02/02/2012 19:15, David García Aristegui wrote: > Here are examples with .fs generated with the default fingerprint, FP2 > http://openbabel.org/docs/dev/Fingerprints/fingerprints.html > > Is different the way to do a substructure search in a .fs generated with > FP3, FP4 or MACCS fingerprints?

[Open Babel] Substructure search with .fs generated with FP3, FP4 and MACCS fingerprints

Here are examples with .fs generated with the default fingerprint, FP2 http://openbabel.org/docs/dev/Fingerprints/fingerprints.html Is different the way to do a substructure search in a .fs generated with FP3, FP4 or MACCS fingerprints? could you tell me if are examples available? Best regards.