Lochana, On Sun, Dec 18, 2011 at 1:24 AM, lochana menikarachchi <[email protected]> wrote: > I have noticed either cdk MDLV2000 reader or sdf writer looses some > information in the sdf file. (column 7) This breaks compatibility with other > programs that rely on this information.
Can you create a MDL V2000 molfile with FC(Cl)BrI as compound, make sure it has the stereo field, *and* let me know if that file represents the R or S species? Then I will write a patch to add this functionality. Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet (http://ki.se/imm) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Learn Windows Azure Live! Tuesday, Dec 13, 2011 Microsoft is holding a special Learn Windows Azure training event for developers. It will provide a great way to learn Windows Azure and what it provides. You can attend the event by watching it streamed LIVE online. Learn more at http://p.sf.net/sfu/ms-windowsazure _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
