|3.0beta||program suite for automated NMR protein structure calculation|
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:
Please direct requests to install newer versions of this software to NSC Support.
Please also contact NSC Support if you find any issues with our installations. For example, if the license is no longer valid.
Current license is valid until 2014–12–31.
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.
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.