i have 2 molfiles molfile1.mol and molfile2.molfile i run: babel molfile1.mol molfile2.mol -ok in my terminal this gives me whether they're identical or not apparently the way it works is by generating a unique InChl string for both files and then doing string matching.
correct me if i'm wrong please -- View this message in context: http://forums.openbabel.org/openbabel-for-comparing-molfiles-tp3321668p3322407.html Sent from the openbabel-scripting mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Free Software Download: Index, Search & Analyze Logs and other IT data in Real-Time with Splunk. Collect, index and harness all the fast moving IT data generated by your applications, servers and devices whether physical, virtual or in the cloud. Deliver compliance at lower cost and gain new business insights. http://p.sf.net/sfu/splunk-dev2dev _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
