Hi, I just had a problem with the atom symbols in the atom block of a particular MOL/SDF file. Looks like RDKit expects those to be left justified within their 3 character field while I had a file where they were right justified. A look into CTFile Formats from Oct 2003 does not suggest that these file formats prescibe a certain justification of that field.
Many thanks, Hannes. ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports.http://sdm.link/zohodev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
