[phenixbb] Cis/trans peptide plane restraints ?

[CUNIASSE Philippe]

Dear all,

I am currently trying to refine a MDFF structure with the phenix RealSpaceRefine protocol of phenix.
I am wondering if it is possible to apply systematic restraints to peptide plane (in trans when they are trans and cis when they are cis in order to avoid twisted conformations of the peptide planes at the end of the refinement.
The only possibility I saw is to apply dihedral restraints defined one by one but when having thousands of residues, it seems not really convenient.
Thanks in advance for your help.
Best regards.
Philippe.


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Philippe Cuniasse, PhD/HDR.
Institut de Biologie Integrative de la cellule.
UMR 9198 CNRS-CEA-Univ Paris Sud
Bat 144 CE-Saclay
91191 Gif-sur-Yvette Cedex
France
Tel:      (33) 1 69 08 56 35
Fax:      (33) 1 69 08 47 12
Email: philippe.cuniasse at cea.fr<mailto:philippe.cuniasse at cea.fr>
Web: http://biodev.cea.fr/rasmot3d/

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