Hi Paul,
I'll display the depth of my ignorance here by asking if it is not
ultimately possible to use the refmac5 (or shelx for that matter)
restraints-handling code as a basis for coot, given that they both use
the same format of information?
Cheers,
Charlie
Paul Emsley wrote:
> On Tue, 2007-05-15 at 17:06 +0800, Charlie Bond wrote:
>>> Coot uses the _chem_comp.group to determine the link type.
>>> It needs to be either L-peptide or D-peptide to be linked as an amino
>>> acidic chain.
>> How about non-peptide links, of which my molecule contains a number (15
>> or so, see PDB 1E9W for an example)?
>
> 1E9W: Yikes! I think I'll use that as a torture test for the
> forthcoming LINK code.
>
> I can't help at the moment, sorry. This will be fixed along with
> glycosylation and branching carbohydrates.
>
> Paul.
>
> .
>
--
Charlie Bond
Professorial Fellow
University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
M310
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Crawley WA 6009
Australia
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