Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
(→Docking) |
|||
| Line 3: | Line 3: | ||
*[[MOE]] | *[[MOE]] | ||
*[[VMD]] | *[[VMD]] | ||
| + | *[[New link]] | ||
== Basic Linux Tools== | == Basic Linux Tools== | ||
Revision as of 15:29, 15 August 2012
Contents
Visualization Software
Basic Linux Tools
Docking
Molecular Dynamics
| AMBER Tutorials | AMBER TI Tutorials | AMBER tricks |
| NAMD tutorial | NAMD Amber inputs | |
| per-residue energy decompositions | nonstandard residues prep | |
| ptraj |
error analysis
Blocked Standard Error of the Mean autocorrelation function
GROMACS
Monte Carlo
Analysis Tools
Databases
- NCI (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 |
