On Mar 21, 2012, at 6:48 PM, Greg Landrum wrote: > I don't think it's actually reading the molecule from SDF that's slow. > The slow part is sanitizing it. More carefully: the slowest part is > cleaning up the stereochemistry.
Without looking at the code, I can agree with that. RDKit's SD reader used to be slower than Open Babel's. OB supported stereochemistry starting with 2.3. Now its SD file reader is slower than RDKit's. They believe the slowdown comes from handling stereo. Andrew da...@dalkescientific.com ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ Rdkit-devel mailing list Rdkit-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-devel