On Thu, 25 May 2017 10:25:36 +0100 Paolo Tosco <paolo.to...@unito.it> wrote:
> Dear Hannes, > > the Open3DALIGN algorithm is described here: > > /Journal of Computer-Aided Molecular Design/ *2011*, /25/, 777-783 > doi <http://dx.doi.org/10.1007/s10822-011-9462-9> > > Cheers, > p. Many thanks. This is really useful. But what happens if the parameters prbPyMMFFMolProperties and refPyMMFFMolProperties are not set (they are both None by default)? Many thanks, Hannes. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
