The weighted random rotor search does not generate an ensemble of conformers, no. It’s intended to find the lowest energy conformer.
Hope that helps, -Geoff > On Jan 4, 2017, at 12:16 PM, kcpearce <kcpea...@vt.edu> wrote: > > I am new to OpenBabel and I am trying to generate numerous conformers of a > certain compound. In the documentation, I read that the conformer searching > can be done systematically, with a random rotor search, a weighted random > search, or with genetic algorithm. However, I also read that conformer > generation can only be done with the systematic or genetic algorithm > approach. Is there no way to generate numerous conformers of a particular > compound using the weighted random rotor search? I appreciate any and all > feedback/suggestions. > > Thanks, > Kirk Pearce > > > > -- > View this message in context: > http://forums.openbabel.org/Conformer-Search-vs-Conformer-Generation-tp4659653.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, SlashDot.org! http://sdm.link/slashdot > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
