Difference between revisions of "DOCK 3.7"

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* [[Ligand preparation 3.7]] - Create dockable databases for [[DOCK 3.7]].
 
* [[Ligand preparation 3.7]] - Create dockable databases for [[DOCK 3.7]].
 
* [[Ligand preparation]] - different version.  
 
* [[Ligand preparation]] - different version.  
 +
* [[Mol2db2 Format 2]] - details on the database formate.
 
* [[Running docking 3.7]] - how to actually run docking.
 
* [[Running docking 3.7]] - how to actually run docking.
 
* [[DOCK 3.7 Development]] - for software developers
 
* [[DOCK 3.7 Development]] - for software developers

Revision as of 08:45, 23 October 2014

About

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 the DOCK 3.7 paper, please use Coleman, Carchia, Sterling, Irwin & Shoichet, PLOS ONE 2013. DOCK 3.7 is written in Fortran and some C. It is an update of DOCK 3.6 with many improved features. DOCK 3.7 comes with all the tools necessary to prepare a protein for docking, written in a variety of languages. It comes with some tools necessary to build ligands, though some tools are under commercial/free academic license that must be obtained externally. It uses new Flexibase/DB2 files found on ZINC (eventually). It includes tools to prepare receptors, written in a variety of languages, and several auxiliary scripts written in Python.

Start here

Prepare Receptor

Prepare Screening Library

Running Docking

Analysis

Available Libraries

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.

How to Cite

To cite the DOCK 3.7 paper, please use Coleman, Carchia, Sterling, Irwin & Shoichet, PLOS ONE 2013.

How to Download

DOCK 3.7 is available at http://dock.compbio.ucsf.edu/DOCK3.7/.

Programming Language

DOCK 3.7 is written in Fortran and some C. Scripts are mostly in python and perl.

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/.