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cns

Summary

Source: http://cns-online.org/v1.3/

License: see CNS-License.pdf

Path: /opt/xray/cns

Documentation: cns manual, wiki

Citation: 1. A.T. Brunger, P.D. Adams, G.M. Clore, P.Gros, R.W. Grosse-Kunstleve, J.-S. Jiang, J. Kuszewski, N. Nilges, N.S. Pannu, R.J. Read, L.M. Rice, T. Simonson, G.L. Warren,Crystallography & NMR System (CNS), A new software suite for macromolecular structure determination, Acta Cryst.*D**54*, 905-921(1998).

  1. A.T. Brunger, Version 1.2 of the Crystallography and NMR System, *Nature Protocols 2, 2728-2733 (2007).*

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.

Using cns

The basic setup can done as:

xwhich cns

 Provided by module(s)
  ... module load tools/cns                                    which cns: /opt/xray/cns/intel-x86_64bit-linux/bin/cns 

 Documentation: https://confluence.desy.de/display/IS/cns
 URL:           http://cns-online.org
 Manual:        http://cns-online.org
 License:       http://cns-online.org/cns_request/

module load tools/cns                        # or alternatively...
source /opt/xray/cns/cns_solve_env  
export OMP_NUM_THREADS=4                     # to set the number of threads

Installing CNS

Installation of CNS is very simple, check out installation instructions on the cns web:

  • Fetch the tarball from http://cns-online.org/v1.3/ and untar it in the folder where the installation should reside.
  • Adjust cns_solve_env and source it
  • Install using
    • make install # for the single threaded version
    • make install compiler=gfortran_mp # for the OpenMP-version