MUD - Michael's Utilities for Docking: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
Line 10: | Line 10: | ||
*If you use MUD a lot, you can add this to your ~/.login | *If you use MUD a lot, you can add this to your ~/.login | ||
*Then simply run commands like this: | *Then simply run commands like this: | ||
$mud/ | $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== | ==Job Control== | ||
* | *Submit a job to the cluser | ||
* | $mud/submit.csh | ||
**Similar to startdockbksX, but records job submission | |||
*b | |||
*a |
Revision as of 08:07, 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
- Similar to startdockbksX, but records job submission
- b
- a