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Cis-Proline in CNS

Jeannie Rojas jrojas at CRYSTAL.WISTAR.UPENN.EDU
Mon Jan 25 16:09:26 EST 1999


I have a cis-proline that I am trying to refine in CNS.  I used
cis_peptide.inp to try and generate the parameter file and this is the
output cis_peptide.param:  

!>>>>distorted peptide: segid= PROA resid= 316 resname=PRO 
!>>>> current dihedral value= -100.525

!this may require correction before starting refinement


It is recognizing the cis-proline, but this parameter file does not work
in CNS.  Does anyone have any suggestions?  Thank you.

Jeannie Rojas
jrojas at crystal.wistar.upenn.edu 

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