Looking at the docs (babel -H fpt or http://openbabel.org/docs/current/FileFormats/Fingerprint_format.html) you need -xf MACCS.
On 2 December 2011 01:20, Kirk Simmons <kirkasimm...@gmail.com> wrote: > I am attempting to convert an input file of structures to the corresponding > MACCS fingerprints. > OBabel -isdf MyStructures.sdf -O MyStructures.fpt -xh -xMACCS does not > work in that the fingerprint generation is ignoring the request for MACCS. > What am I doing wrong? > > Within the GUI I can get this work, but for large sdfiles I want to use the > command line. > > ------------------------------------------------------------------------------ > All the data continuously generated in your IT infrastructure > contains a definitive record of customers, application performance, > security threats, fraudulent activity, and more. Splunk takes this > data and makes sense of it. IT sense. And common sense. > http://p.sf.net/sfu/splunk-novd2d > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
