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Re: Refine.inp
... Most likely your CNS_SOLVE environmental variable is not set properly. Check your cns_solve_env. To verify, you can also go back to the command line and More... |
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CNS SA script to to use with RECOORD water refine.
The following script for CNS simulated annealing was submitted by trent. He recommends to use this script as a part of RECOORD structure determination and water refinement protocol to prevent wrong geometry of aromatic rings (as reported here and here). You may find this script useful if you have a ligand in your model that makes CNS go crazy and produce protein structures with collapsed aromatic rings. Thanks trent! Mark ******************************************************************* remarks file sa_cns.inp |
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Hydrogen-bonding potential to refine NMR structure
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