Hi Raphael, On 9/7/07, Raphael A. Bauer <[EMAIL PROTECTED]> wrote: > is there a possibility to write the full content of a PDBAtom into one > line when using the PDBWriter?
Not with the current CDK. The current CDK PDBWriter only writes small molecule PDB files, not full protein. > As far as I can see only "MOL" as residue name is possible currently. > In Contrast the PDBReader reads quite everything including the residue > name into the PDBAtom implementations. But the PDBWriter is not capable > to write it out. I believe that observation is correct. Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
