Difference between revisions of "Rizzo Lab Information and Tutorials"
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== GROMACS == | == GROMACS == | ||
{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
| − | + | * [[Compiling GROMACS on Cluster]] | |
| − | + | * [[MD Simulation: Protein in Water]] | |
| − | + | |} | |
| − | |||
| − | |||
== Monte Carlo == | == Monte Carlo == | ||
Revision as of 15:51, 13 January 2015
Contents
Visualization Software
Basic Linux Tools
Docking
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 |
