Dear All, I am using phenix to refine a long helix of about 120 residues in a complex structure, but in course of refinement the helix becoming distorted from helical geometry. As a result when I am displaying the refined structure in pymol as cartoon one long helix showed 3/4 discontinuous helices in a single chain. Is there any way to constrain or restrain the helix during refinement, so that refinement process can maintain the helical geometry? Any suggestion is well appreciated. With regards... Raja Raja Dey, Ph.D. Research Associate Molecular and Computational Biology University of Southern California
Hi Raja, it's still not available, and we still plan to add it in future. Currently the only way of doing it is to define pseudo-bonds between the pairs of atoms that stabilize the secondary structure elements. For more informations please look "Definition of custom bonds and angles" section in phenix.refine manual (http://www.phenix-online.org/documentation/refinement.htm). Pavel. On 10/13/2008 3:55 PM, Raja Dey wrote:
Dear All, I am using phenix to refine a long helix of about 120 residues in a complex structure, but in course of refinement the helix becoming distorted from helical geometry. As a result when I am displaying the refined structure in pymol as cartoon one long helix showed 3/4 discontinuous helices in a single chain. Is there any way to constrain or restrain the helix during refinement, so that refinement process can maintain the helical geometry? Any suggestion is well appreciated. With regards... Raja
Raja Dey, Ph.D. Research Associate Molecular and Computational Biology University of Southern California _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
participants (2)
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Pavel Afonine
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Raja Dey