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
