Hello,
I have about 100 conformers. Some of those are similar based on RMSD when
looked at in VMD. I would like to eliminate redundant conformers based on
RMSD. Is there a way to do that within Open Babel?
Thanks
Carrie
------------------------------------------------------------------------------
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
