Re: [Cdk-user] SDF Problem

Lochana, On Sun, Dec 18, 2011 at 1:24 AM, lochana menikarachchi locha...@yahoo.com 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

[Cdk-user] SDF Problem

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. Attached compound CID_79058.sdf is S isomer of FC(Cl)BrH downloaded from pubchem.