This use case describes how to run MAPPER 2.0 jobs on the eNMR grid.
A gzipped tar file containing all necessary files and an example of a
job file for grid submission is provided for download. This use case
provides a basis for executing any MAPPER 2.0 script on the eNMR grid.
File: usecase_mapper.tgz
Description of content:
This directory contains an example of automated resonance
assignment as described in J.Biomol. NMR, 2000 18:129–137.
Created by Peter Güntert / Henry Jonker, BMRZ, April 2008
Input files:
- mapper.jdl : job file for grid submission, modify path as needed
- mapper.run : executable script that will run the program
- demo.fra : input parameters, fragment data and documentation
- demo.seq : protein sequence
Output files:
- demo.out : output assignment
- mapper.grf : mapper graph
Execution on the eNMR grid: (commands are in italics)
1) Login as an eNMR grid user:
voms-proxy-init -voms enmr.eu
2) Submit job file:
glite-wms-job-submit -o mapper.jobid -a mapper.jdl
3) Check status:
glite-wms-job-status -i mapper.jobid
4) When finished get back output:
glite-wms-job-output -i mapper.jobid --dir mapper-output