Difference between revisions of "Rizzo Lab Information and Tutorials"
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*[[PBS Queue]] | *[[PBS Queue]] | ||
| + | *[[Useful Slurm Commands]] | ||
*[[gdb (GNU Debugger)]] | *[[gdb (GNU Debugger)]] | ||
*[[Common Errors - ctrl M]] | *[[Common Errors - ctrl M]] | ||
Revision as of 15:13, 22 February 2024
Contents
DOCK
Visualization Software
Basic Linux Tools
Molecular Dynamics
GROMACS
Monte Carlo
Analysis Tools
Databases
- PubChem (ligand database)
- NIST (small molecule database)
- ZINC12 Database
- ZINC15 Database
- Families in the Protein Databank
- Automated Family generation from PDB
- Drug-like organic molecules
Conversion between file types
Setting up accounts
