Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
Stonybrook (talk | contribs) (→Analysis Tools) |
(→Databases) |
||
| Line 58: | Line 58: | ||
*[http://blaster.docking.org/zinc/ ZINC (ligand database)] | *[http://blaster.docking.org/zinc/ ZINC (ligand database)] | ||
*[[Families in the Protein Databank]] | *[[Families in the Protein Databank]] | ||
| + | *[[Drug-like organic molecules]] | ||
== BlueGene == | == BlueGene == | ||
Revision as of 20:31, 19 September 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
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
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 |
