Hi TJ, 2010/12/24 TJ O'Donnell <[email protected]>: > I have a mol file that causes MolFromMolBlock to get stuck. > I reproduced this problem with this simple python script (below). > I've attached the problem input molfile. I got the file > from the chembl08 download. Another large molfile finishes > in seconds, but I stopped this one after about 1 minute. > Can you see what might be the problem? > > I'm afraid I am not using the most recent version, but > one I built last July.
There have been some fixes related to handling of large molecules since July. Certainly the current state of the code from svn (and probably the last release, though I haven't tried this) handles your SD file without problems or huge delays (less than half a second on my machine). Best Regards, -greg ------------------------------------------------------------------------------ Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
