Hi Egon, I use cdk-1.3.4 Thanks, Adel.
Egon Willighagen wrote: > Hi Adel, > > On Thu, Sep 30, 2010 at 4:23 PM, Adel Golovin <[email protected]> wrote: > >> Thank you for an excellent opensource chemical package. >> However I write to report an issue :( >> I have come across a problem with fingerprints. >> The fingerprints depend on the order of atoms in the MDL file. >> The example molecule is 1FH (kind of a heme) from PDB. >> > > Just for completeness of the report... what CDK version are you using? > > Egon > > ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
