Difference between revisions of "Rizzo Lab Information and Tutorials"
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| [[Compiling Applications for BG/L]] | | [[Compiling Applications for BG/L]] | ||
| [[Compiling Applications for BG/P]] | | [[Compiling Applications for BG/P]] | ||
| + | | [[BlueGene LoadLeveler Jobs with Multiple Steps (Chain Jobs)]] | ||
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Revision as of 15:36, 20 October 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 |
| Unix find | Which Unix Distribution? |
DOCKing
| DOCK Tutorials | Testset Protocols | Scoring Functions | Sampling Methods |
| ZINC Database | Installing DOCK |
Molecular Dynamics
| AMBER Tutorials | AMBER tricks |
| NAMD tutorial | NAMD Amber inputs |
| ptraj |
Monte Carlo
Analysis Tools
Databases
- NCI (ligand database)
- NIST (small molecule database)
- ZINC (ligand database)
- Families in the Protein Databank
- Drug-like organic molecules
