[phenixbb] Real space refinement

Reza Khayat rkhayat at ccny.cuny.edu
Sat Jul 7 16:09:16 PDT 2018


What is the syntax for having phenix.real_space_refine refine a single chain of a multi-chain complex?  I have separated the chains into distinct files and run refinement on a single chain (file) with undesirable results.  It seems that residues adjacent to the density of a neighboring chain get pulled into the neighboring density -possibly because the neighboring density is vacant.  I hope my explanation is clear. Thanks.

Best wishes,

Reza Khayat, PhD
Assistant Professor
Department of Chemistry
City College of New York
85 Saint Nicholas Terrace, CDI 2.318
New York, NY 10031

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