Cnssolve
From UF HPC Wiki
Contents |
Introduction
From the CNS Website:
Crystallography & NMR System (CNS) is the result of an international collaborative effort among several research groups. The program has been designed to provide a flexible multi-level hierachical approach for the most commonly used algorithms in macromolecular structure determination. Highlights include heavy atom searching, experimental phasing (including MAD and MIR), density modification, crystallographic refinement with maximum likelihood targets, and NMR structure calculation using NOEs, J-coupling, chemical shift, and dipolar coupling data.
Sourcing
When using TCSH, you need to source the following in order to use cnssolve:
% source /apps/cnssolve/cns_solve_1.2/cns_solve_env
If you are using BASH, you need to do the following instead:
% . /apps/cnssolve/cns_solve_1.2/.cns_solve_env_sh
Executables
The executables are located in the following location:
/apps/cnssolve/cns_solve_1.2/bin
Sample Script
The sample PBS script can now be found on the PBS Sample Job Scripts page.
