Hello, I am using RDKit 2023.9.2's SDMolSupplier to read docked SDF files (V2000 formats, suppl = Chem.SDMolSupplier(sdf_file);) and getting a warning as:
Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. I could not figure out how Rdkit is guessing it as 2D structure, as there is no such information in SDF. Is there any more information need to provide SDMolSupplier to make it understand it's a 3D molecule? I kindly look forward to hearing to suggestions. TIhanks in advance, Mandar Kulkarni
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
