Philippe
You can use
apply_peptide_plane=True
to apply a plane to the atoms so it will be flatter regardless of the
cis/trans configuration.
Cheers
Nigel
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Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Email : [email protected]
Web : CCI.LBL.gov
ORCID : orcid.org/0000-0001-8857-9464
On Mon, Sep 11, 2023 at 7:58 AM 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: [email protected]
Web: http://biodev.cea.fr/rasmot3d/
*[image: signature_863913621]*[image: signature_2053578832][image: signature_1816548304]
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