MUD - Michael's Utilities for Docking
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
- 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
- Submit a job to the cluser
Similar to startdockbksX, but records job submission
- Check job status
- Restart failed subjobs
This works even if some subjobs are still running. Occasionally, however, jobs fail with no detectable remnants. To force those jobs to restart you can use the -f option, but beware that this will also restart all subjobs that are still running.