I'm using the CNS V 1.0 program to refine the crystallographic
structure of my protein. I'm having trouble in refining an alanine
residue to the cis-conformation. I have sufficient electronic density in
the FoFc and 2FoFc maps indicating that this residue adopts this unusual
conformation. There is NO electronic density that would justify the
trans-conformation for this Ala residue.
I have generated a file of the parameters with the program Cis-Peptide
and used as an entry file to the program Refine. This procedure isn't
working out as it should since after a refinement the Ala residue
returns to the trans conformation.
I would like to know if someone has encountered such a problem before
and/or someone has a suggestion on how to proceed to solve it.
Thank you very much, best regards,
marcios at if.sc.usp.br
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