[Agree with Roger re: cif libs]
If I may add a Coot tip, I'd recommend
Extensions -> Modelling -> Add Other Solvent Molecules
which make such operations somewhat more slick.
Paul.
On 02/08/10 16:13, Roger Rowlett wrote:
> Rex,
>
> Glycerol should be a Refmac-recognized ligand. If you use the
> File...Get Monomer option of Coot to add glycerol to your molecule
> with the appropriate three-letter code (GOL) then Refmac should be
> able to recognize it and utilize the proper geometric constraints. We
> do this with other ligands like bicarbonate (BCT) and citrate (CIT)
> and I don't recall having to manually read in any .cif libraries for
> these standard ligands.
>
> Cheers.
>
> On 8/2/2010 11:03 AM, Rex Palmer wrote:
>> Our protein includes several glycerols which have been added to the
>> pdb file. We understand that any required (geometric or
>> other) restraints have to be specified to Refmac in the refinement
>> library. Can someone please provide the instructions for how to
>> include these specifications?
>> Rex Palmer
>> Birkbeck College
> --
> ------------------------------------------------------------------------
> Roger S. Rowlett
> Professor
> Department of Chemistry
> Colgate University
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>
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