Hello, Let's say I am in Python and have a molecule in a .sdf file, how do I compute all molecular descriptors for that molecule?
By all molecular descriptors, I mean all that rdkit knows about. Do you have some example scripts around? Thanks a lot, F. ------------------------------------------------------------------------------ Don't let slow site performance ruin your business. Deploy New Relic APM Deploy New Relic app performance management and know exactly what is happening inside your Ruby, Python, PHP, Java, and .NET app Try New Relic at no cost today and get our sweet Data Nerd shirt too! http://p.sf.net/sfu/newrelic-dev2dev _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
