Dear JP, On Thu, Aug 25, 2011 at 12:30 PM, Greg Landrum <[email protected]> wrote: > On Wednesday, August 24, 2011, JP <[email protected]> wrote: >> Many thanks for the timely clarification! >> >> Indeed it works (attached fixed version) -- I will use this >> workaround. Can you somehow please advise when the bug is fixed (I am >> not sure how this works with RDKit, do you have a bug report for it on >> sourceforge I can check status on)? > > There will be, but is not yet since I am travelling, a bug report on > sourceforge that you can monitor.
The bug report is here: https://sourceforge.net/tracker/?func=detail&aid=3399798&group_id=160139&atid=814650 and the fix was checked in this morning. The Mol2 file parser code now should behave like the SDF parser code: atoms where no stereochemistry is possible will no longer have chiral flags set. -greg ------------------------------------------------------------------------------ Special Offer -- Download ArcSight Logger for FREE! Finally, a world-class log management solution at an even better price-free! And you'll get a free "Love Thy Logs" t-shirt when you download Logger. Secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsisghtdev2dev _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
