Hi Len,
Can't you re-run rigid body in Phenix and feed it directly to SA?
Just trying to stay involved, feel free to ignore me....
:)
On Thursday, January 23, 2014 3:59 PM, Pavel Afonine
We are trying to refine a complex that was solved using Phaser. We have run a round of rigid body refinement using Refmac and now want to run a simulated annealing run in Phenix. Visually the complex looks pretty. The resolution we currently are at is 3.6 A. When we go to run phenix.refine the program quits with a Number of non-bonded interactions < 0.0001 error. Is there a way to loosen this up a bit or get around it or should we go about this in a different way?
Best Regard,
Leonard Thomas, Ph.D. Macromolecular Crystallography Laboratory Manager University of Oklahoma Department of Chemistry and Biochemistry Stephenson Life Sciences Research Center 101 Stephenson Parkway Norman, OK 73019-5251Office: (405)325-1126
[email protected] http://barlywine.chem.ou.edu http://structuralbiology.ou.edu
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