Cyana 3.0beta


Directory list:

VersionDescription
bdist program suite for automated NMR protein structure calculation

Level of support

Tier 3 NSC will not be able to help you much with this program, either because we lack the in-house experience, or because it is a test installation. In general, these types of installations are untested, and will not be updated unless you send a request to NSC.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

Cyana is a program suite for automated NMR protein structure calculation.

Please see each specific installed version for more details.

Documentation is available here:

To get access to this software users must email NSC Support and request membership in the cyana group and state that they conform to all of the following:

  • members must be academic users with Swedish affiliation.
  • members must read, understand and conform to the terms of the Cyana Academic Software License for Computer Centers, available here:
  • members must accept the responsibility of notifying NSC for exclusion from the group if and when they no longer conform to the terms of the license.

Upgrade policy

Please direct requests to install newer versions of this software to NSC Support.

How to run

Find the currently recommended version:

module add cyana

Example job script (assumes CALC.cya is in current working directory):

#!/bin/bash
#SBATCH -N 2
#SBATCH -t 4:00:00
#SBATCH -J jobname
#SBATCH -A SNIC-xxx-yyy

module add cyana/version
cyanajob CALC.cya

Note that you should edit the jobname, cyana version and the account number before submitting.

What we have tested

Demos. MPI.

Known problems

MPI (e.g. cyanajob) does not work on triolith, since it requires openmpi which has not yet been installed on this system. Single node mode seems to work just fine.