Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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== BlueGene == | == BlueGene == | ||
{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
| − | + | *[[Setup ssh tunnel to NYBlue fen]] | |
| − | + | *[[Get time estimate for free blocks]] | |
| − | + | *[[Get Job ids to use for llcancel]] | |
| − | + | *[[Submitting BlueGene Jobs]] | |
| − | + | *[[Compiling Applications for BG/L]] | |
| − | + | *[[LoadLeveler Chain Jobs]] | |
| − | + | *[[scp files from cluster to NYBlue]] | |
| − | + | *[[Get time for job completion]] | |
| − | |||
| − | |||
| − | |||
|} | |} | ||
Revision as of 11:05, 4 February 2019
Contents
Visualization Software
Basic Linux Tools
Docking
De novo Design using DOCK
Molecular Dynamics
GROMACS
Monte Carlo
Analysis Tools
Databases
- PubChem (ligand database)
- NIST (small molecule database)
- ZINC (ligand database)
- Families in the Protein Databank
- Automated Families generation from the Protein Databank
- Drug-like organic molecules
BlueGene
Conversion between file types
Setting up accounts
| Getting a BNL Account | Activating your Seawulf Account | Rotation students Wiki | Setting up RSA SecureID token |
