Is there a way from RDKIT to determine chirality from the actual atom's x,y,z coordinates when reading in a Mol block (or an SDF file)?
Also does RDKit ignore chirality set in the Atom block ? (Does all the stereochemistry get read in from the bond block?) - Jean-Paul Ebejer Early Stage Researcher ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
