Hi everyone, I am trying to use the conformer search option in openbabel in python. When I use it in terminal with the following command, it works fine and I get all the conformers in an output file: obabel -i xyz inputfile.xyz -o xyz -O outputfile.out --conformer --nconf 100 --weighted --writeconformers --log
I want to use the same procedure with pybel and want to store the generated conformers as a list of lists. I cannot find a procedure for it in pybel documentation. Can anyone please help me out here? Thanks, Hashmi -- View this message in context: http://forums.openbabel.org/Use-openbabel-conformer-search-in-python-tp4659805.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
