Re: [ccp4bb]: cis-gly in CCP4i and O

[Garib N Murshudov <garib@ysbl.york.ac.uk>]

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Hi

If you have CISP record in yuour pdb header it should refine as cis peptide.
Otherwise program will try to define automatically.

Garib

On Friday 27 Sep 2002 6:58 pm, Ben Sandler wrote:
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> I'm trying to refine a structure with a cis-glycine in CCP4i, using a
> model built in O.  So far as I know, CCP4i is ok (the CISP keyword is
> set,) but the cis-gly structure I get out of O is so deformed that it
> ends up refining as a regular gly.  I tried to modify the dictionary so
> that I could use refi_zone to refine it as cis-gly in O before I send it
> to CCP4i, but somehow the modifications don't take hold when I read in
> the new dictionary.  What's the best way to accomplish this?
>
> -Ben

-- 
Garib N. Murshudov, Chemistry Department, University of York,Uk
Tel: (01904) 328252