JP wrote: >>> I have two molecules. Is there a way in RDKit how I can get the >>> largest possible substructure between the two input molecules? ... > The Great Dalke strikes again!
The Great Dalke wants to know - have you tried it out? What feedback do you have for me? For those who might be curious, I released 1.0 of the library a few days ago. I announced it on CCL, and I'll let this email be the announcement for the RDKit mailing list. Here's the count of downloads for each of the releases: fmcs-1.0.tar.gz 1.2 MB 2012-06-01 47 fmcs-1.0b4.tar.gz 1.2 MB 2012-05-24 5 fmcs-1.0b3.tar.gz 1.0 MB 2012-05-15 2 fmcs-1.0b2.tar.gz 1.0 MB 2012-05-13 2 fmcs-1.0b1.tar.gz 929.2 KB 2012-04-27 6 One or two downloads of each release is for my client. These numbers mean that my blogging and announcements on the RDKit list together have much less reach than posting to CCL. Andrew da...@dalkescientific.com ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss