Anyone have any comment on this? I am observing the same problem as OP. I am using the following:
/usr/people/douglas/programs/openbabel-2.3.2/build/bin/obabel crystal_ligand.sdf -O tmp.sdf --conformer --nconf 50 --writeconformers I only get 1 conformer in the 1 output file. I have also tried the following: /usr/people/douglas/programs/openbabel-2.3.2/build/bin/obabel crystal_ligand.sdf -O tmp.sdf --confab -rcutoff 0.1 -ecutoff 10 --original --verbose Still get 1 conformer in the 1 output file. The verbose option seems to have no effect, neither do the rcutoff and ecutoff options. I believe there may be something wrong with the way obabel is handling the options, it's like they aren't being used at all. Can anyone honestly state that they have observed this feature actually working? -- View this message in context: http://forums.openbabel.org/Generating-a-diverse-set-of-conformers-tp4656011p4657393.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Is your legacy SCM system holding you back? Join Perforce May 7 to find out: • 3 signs your SCM is hindering your productivity • Requirements for releasing software faster • Expert tips and advice for migrating your SCM now http://p.sf.net/sfu/perforce _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
