Hi I wonder that is it possible to indentify atoms by indecies ( ie. atom number in xyz file) with SMART pattern? I am trying to fit two molecules with OBFIT and would like to do it by atom number.
Best regards, Matti -- View this message in context: http://forums.openbabel.org/Question-about-OBFIT-and-SMART-pattern-tp3809595p3809595.html Sent from the openbabel-scripting mailing list archive at Nabble.com. ------------------------------------------------------------------------------ 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. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2dcopy1 _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
