Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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== Basic Linux Tools== | == Basic Linux Tools== | ||
{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
| − | * | + | *[[Unix]] |
| − | * | + | *[[vi ]] |
| − | * | + | *[[sed - Stream Editor in Unix]] |
| − | * | + | *[[Slick 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?]] | |
| − | + | *[[rsync]] | |
| − | + | *[[MPICH]] | |
| − | + | *[[Secure Shell (ssh)]] | |
| − | + | *[[Archiving old data]] | |
| − | + | *[[valgrind]] | |
| − | + | *[[Ghostscript]] | |
|} | |} | ||
Revision as of 11:03, 4 February 2019
Contents
Visualization Software
Basic Linux Tools
Docking
De novo Design using DOCK
| De Novo Design (DOCK_DN) | Small Molecule Evolution (DOCK_GA) |
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 |
