Difference between revisions of "DOCK 3.7"

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(Molecular docking)
(Highest level scripts)
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* [[Blastermaster]] - a program prepare input for and then run [[DOCK 3.7]], a molecular docking program.
 
* [[Blastermaster]] - a program prepare input for and then run [[DOCK 3.7]], a molecular docking program.
* [[Ligand preparation]] - programs to create dockable databases
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* [[Ligand preparation 3.7]] - programs to create dockable databases
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* [[Ligand preparation]] - somewhat different, apparently refers to versions on the UCSF/Toronto clusters, not in the distribution.
 
* [[Getting started with DOCK_3.7]] - notes by JJI, work in progress.
 
* [[Getting started with DOCK_3.7]] - notes by JJI, work in progress.
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* [[Running docking 3.7]] - how to actually run docking.
  
 
= Protein preparation for docking =  
 
= Protein preparation for docking =  

Revision as of 21:37, 24 February 2014

DOCK 3.7 is available at http://dock.compbio.ucsf.edu/DOCK3.7/. It is the latest version in the DOCK 3 series of docking programs developed and used by the Shoichet Lab. To cite DOCK3.7 paper, please use Coleman, Carchia, Sterling, Irwin & Shoichet, PLOS ONE 2013.

Highest level scripts

Protein preparation for docking

Molecular library preparation for docking

Molecular docking

Analysis of Docking Results, including the use of decoys

Current cluster information pertaining to using DOCK 3.7

Previous verisons

DOCK 3.7 is part of the DOCK 3 series. However, it differs substantially from its immediate predecessor DOCK 3.6. Importantly, DOCK 3.6 uses a different format of database files that cannot be read by DOCK 3.7 and vice versa.

http://i.creativecommons.org/l/by-sa/3.0/88x31.png

This work is licensed under the Creative Commons Attribution-ShareAlike 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-sa/3.0/ This page is adapted from "DOCK3.7 Documentation" by Ryan G. Coleman. Based on a work at https://sites.google.com/site/dock37wiki/.