MUD - Michael's Utilities for Docking: Difference between revisions

From DISI
Jump to navigation Jump to search
No edit summary
No edit summary
Line 18: Line 18:
    
    
*Submit a job to the cluser
*Submit a job to the cluser
Similar to startdockbksX, but records job submission
  $mud/submit.csh
  $mud/submit.csh
Similar to startdockbksX, but records job submission
*Check job status
*b
$mud/check.py
 
*Restart failed jobs
*a
$mud/restart.py

Revision as of 08:15, 29 October 2008

What's in MUD?

  • Tools to start, check, and restart dock jobs
  • Tools to combine, enrich, plot, and view docking results

Setting up MUD

  • For convenience, point a shell variable to the base mud directory to save typing
set mud=~mysinger/code/mud/trunk
  • If you use MUD a lot, you can add this to your ~/.login
  • Then simply run commands like this:
$mud/submit.csh
$mud/check.py -h
  • Use -h or --help to get full help information for the .py (python) scripts
  • The .csh scripts will automatically print usage information if mis-used

Job Control

  • Submit a job to the cluser

Similar to startdockbksX, but records job submission

$mud/submit.csh
  • Check job status
$mud/check.py
  • Restart failed jobs
$mud/restart.py