Difference between revisions of "Rizzo Lab Information and Tutorials"

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(Docking)
(BlueGene)
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*[[Automated Families generation from the Protein Databank]]
 
*[[Automated Families generation from the Protein Databank]]
 
*[[Drug-like organic molecules]]
 
*[[Drug-like organic molecules]]
 
== BlueGene ==
 
{| cellpadding=0 width=90%
 
*[[Setup ssh tunnel to NYBlue fen]]
 
*[[Get time estimate for free blocks]]
 
*[[Get Job ids to use for llcancel]]
 
*[[Submitting BlueGene Jobs]]
 
*[[Compiling Applications for BG/L]]
 
*[[LoadLeveler Chain Jobs]]
 
*[[scp files from cluster to NYBlue]]
 
*[[Get time for job completion]]
 
|}
 
  
 
== Conversion between file types ==
 
== Conversion between file types ==

Revision as of 11:12, 4 February 2019

Visualization Software

Basic Linux Tools

Docking

De novo Design using DOCK

Molecular Dynamics

GROMACS

Monte Carlo

Analysis Tools

Databases

Conversion between file types

Setting up accounts

Miscellaneous

Archive