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

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*Submit a job to the cluser
*Submit a job to the cluser
  $mud/submit.csh
  $mud/submit.csh
** Similar to startdockbksX, but records job submission
## Similar to startdockbksX, but records job submission
*b
*b


*a
*a

Revision as of 08:13, 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
$mud/submit.csh
    1. Similar to startdockbksX, but records job submission
  • b
  • a