[phenixbb] Metal restraints at special position

Yuri yuri.pompeu at ufl.edu
Mon Nov 28 11:17:31 PST 2011


I have a Mg2+ coordinated to 4 waters and 2 side chains.
Some of the waters are at special postions. I generated the restraints 
file using "phenix.metal_cordination input.pdb"
When I run refine with my .edits restraints file it crashes due to the 
special position.
How do I handle this?
Best,

-- 
Yuri Pompeu


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