Difference between revisions of "Rizzo Lab Information and Tutorials"
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| [[Getting a BNL Account]] | | [[Getting a BNL Account]] | ||
Revision as of 11:59, 8 June 2009
Contents
Visualization Software
Basic Linux Tools
| Unix | vi | sed - Stream Editor in Unix |
| Stupid awk tricks | Ways to remove the first line | PBS Queue |
| gdb (GNU Debugger) | Common Errors - ctrl M | C Shell Scripting |
DOCKing
Molecular Dynamics
| AMBER Tutorials | AMBER tricks |
| NAMD tutorial | ptraj |
Monte Carlo
Analysis Tools
Databases
- NCI (ligand database)
- NIST (small molecule database)
- ZINC (ligand database)
- Families in the Protein Databank
BlueGene
| Get time estimate for free blocks | Get Job ids to use for llcancel | Get time for job completion |
| Submitting BlueGene Jobs | Compiling Applications for BG/L | Compiling Applications for BG/P |
