Hi Folks,
I am refining a peptide with lost of non-standard residues and have a
set of bonding restraints which work fine, but the link restraints
between residues do not seem to be doing anything (in coot - in refmac
everything behaves). Is there anything I need to do in coot beyond
having a correct set of chem_link records in my cif file and the
appropriate LINK records in my pdb file?
(What happens is I select "real space refine" or "regularise" and click
on, for example, residues 14 (DHA) and 15 (PYT) and they ping apart,
each residue preserving its own internal geometry, but losing the
inter-residue bond-length.)
Sorry if I've missed a previous post or faq, but I've trawled everywhere
I can think of.
Cheers,
Charlie
--
Charlie Bond
Professorial Fellow
University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
M310
35 Stirling Highway
Crawley WA 6009
Australia
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+61 8 6488 4406
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