Dear Nick,
On Thu, Nov 15, 2012 at 10:44 AM, Nicholas Firth <[email protected]> wrote: > Hi Greg, > I'm not quite sure which version of RDKit I'm using, I use the brew and I > updated it 25/10/12 so I think that would mean it would be the Q3 release, > as per Eddies correspondence about using the SVN version. You can check your version as follows: In [16]: from rdkit import rdBase In [17]: rdBase.rdkitVersion Out[17]: '2012.12.1pre' > I'm pretty sure that there won't be an issue with sending the structure > except from the embarrassment factor. I'd recommend against showing it to > synthetic chemists, they get angry. When I run that SD file, I have to turn off strictParsing due to badly formatted version lines, there are some kekulization failures, and in the end there is an error because the file ends in the middle of a record, but there are no infinite loops. The net is 98 records read, 8 of which have errors and produce None. -greg ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
