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]] | + | *|[[Unix]] |
| − | |[[vi ]] | + | *|[[vi ]] |
| − | |[[sed - Stream Editor in Unix]] | + | *|[[sed - Stream Editor in Unix]] |
| − | + | *|[[Slick awk tricks]] | |
| − | |[[Slick awk tricks]] | + | *|[[Ways to remove the first line]] |
| − | |[[Ways to remove the first line]] | + | *|[[PBS Queue]] |
| − | |[[PBS Queue]] | ||
| − | |||
|[[gdb (GNU Debugger)]] | |[[gdb (GNU Debugger)]] | ||
|[[Common Errors - ctrl M]] | |[[Common Errors - ctrl M]] | ||
|[[C Shell Scripting]] | |[[C Shell Scripting]] | ||
| − | |||
|[[Unix find]] | |[[Unix find]] | ||
|[[Which Unix Distribution?]] | |[[Which Unix Distribution?]] | ||
|[[rsync]] | |[[rsync]] | ||
| − | |||
|[[MPICH]] | |[[MPICH]] | ||
|[[Secure Shell (ssh)]] | |[[Secure Shell (ssh)]] | ||
|[[Archiving old data]] | |[[Archiving old data]] | ||
| − | |||
|[[valgrind]] | |[[valgrind]] | ||
|[[Ghostscript]] | |[[Ghostscript]] | ||
Revision as of 11:03, 4 February 2019
Contents
Visualization Software
Basic Linux Tools
| 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 |
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 |
