[phenixbb] Interpreting new ligands

Nigel Moriarty nwmoriarty at lbl.gov
Tue Jul 13 08:46:03 PDT 2010


Can you send me (directly) your PDB file.  Incidentally,
elbow.ligand_linking is a pre-alpha release program that is not fully


On Mon, Jul 12, 2010 at 9:33 AM, Monique Gangloff <mg308 at cam.ac.uk> wrote:
> Hi,
> I have not managed to refine glycans such as beta-L-fucose (FUL) that are not listed in the PHENIX library. I am not sure what the problem is.
> eLBOW works fine and creates a cif file for FUL.
> elbow.ligand_linking file.pdb crashes with the following error message: "Fatal problems interpreting PDB file".
> The refinement works fine when I remove FUL from my pdb file.
> Any suggestion would be very welcome.
> Cheers,
> Monique
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Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
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