Re: [ccp4bb]: CIS peptides in CNS

[Rongjin Guan <guanr@umbi.umd.edu>]

you can have an additional parameter file to define this cis peptide
bond, something like this:

!parameter
        dihe (name CA and resid 9 and segid "A") (name C and resid 9 and segid "A")
             (name N and resid 10 and segid "A") (name CA and resid 10 and segid "A")
             1250.0      1      180.0
!end

in this case, the peptide bond 9-10 is in a cis configuration.  Hope this helps.

Rongjin Guan
 
 
 

"N.Manoj" wrote:

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Dear all,
          Could somebody point out the right way to impose cis-peptide
restraints in CNS?

Thanks,
manoj

-- 
Rongjin Guan, Ph.D.
Center for Advanced Research in Biotechnology
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