Hi Noel, Thanks for the python script! I am trying to compute the symmetry corrected rmsd too, and I export the dev version here: https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/branches/openbabel-2-3-x/ and build it.
But I still get the same error, could you let me know if I am using the correct dev version? Thanks! Or do you have something work with the version 2.3.0? Boyu University of Delaware -- View this message in context: http://forums.openbabel.org/pybel-howto-calculation-of-RMSD-for-two-molecules-but-different-conformers-tp3338914p3702236.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Got Input? Slashdot Needs You. Take our quick survey online. Come on, we don't ask for help often. Plus, you'll get a chance to win $100 to spend on ThinkGeek. http://p.sf.net/sfu/slashdot-survey _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
