[phenixbb] Refmac error using PDB coordinates generated by Phenix PDB File Editor
xiaoleiusc at gmail.com
Fri Apr 29 17:11:25 PDT 2016
Thank you very much for the information! After I use PDB editor to set
atloc, give chain I atloc to "P" and give chain K atloc to "Q" both Phenix
Refine and Refmac goes normally. To my surprise, even I force chain K to be
chain I with the same residue number and name, as long as I set atloc to P
for Chain I, Ala7th--13th 0.5 occupancy and atloc to Q for Chain I,
Ala7th--13th 0.5 occupancy, the Phenix Refine and Refmac goes normally. So
the key here is to set atloc with PDB editor. Is there any difference
between using the same chain ID (Chain I, atloc P and Q, half occupancy) or
using the different chain ID (Chain I, atloc P, half occupancy and then
Chain K, atloc Q, half occupancy)?
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