[phenixbb] Interpreting new ligands

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


Monique

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

Nigel

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
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Lawrence Berkeley National Laboratory
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