Crystallography & NMR System
A.T.Brunger, P.D.Adams, G.M.Clore, W.L.Delano, P.Gros, |
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The following information is restricted to users at Indiana University. Users outside of IU should see the official CNS Web Site from the Brunger Lab at Yale University.
CNS v1.0 is installed on the departmental SGI servers. This installation is preliminary pending beta-testing.
Before running CNS, type source /remote/server/cns/setup_cns. Then:
| FILE | DESCRIPTION |
|---|---|
| CNS v0.9 generate.inp | an example of molecular structure generation |
| CNS v0.9 get_wa_mlf.inp | example of the maximum likelihood target MLF to determine value for wa used in subsequent steps |
| CNS v0.9 torsion_mlf.inp | example of the maximum likelihood target MLF to perform torsion angle molecular dynamics |
| CNS v0.9 positional_mlf.inp | example of the maximum likelihood target MLF to perform energy minimization |
| CNS v0.9 bindividual_mlf.inp | example of the maximum likelihood target MLF to perform restrained individual atom B-factor refinement |
| CNS v0.9 sa_omit_mlf_map.inp | example of the maximum likelihood target MLF to simulated annealing omit map |
| CNS v0.9 nmr_anneal.inp | example for NMR structure calculation by simulated annealing |