Difference between revisions of "DOCK 3.7"

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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
 
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
 
[http://www.plosone.org/article/info:doi/10.1371/journal.pone.0075992 Coleman, Carchia, Sterling, Irwin & Shoichet, PLOS ONE 2013.]
 
[http://www.plosone.org/article/info:doi/10.1371/journal.pone.0075992 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  
+
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  
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 academi
protein for docking, written in a variety of languages. It comes with some tools
+
c license that must be obtained externally. It uses new Flexibase/DB2 files found on ZINC (eventually). It includes tools to prepare receptors,
necessary to build ligands, though some tools are under commercial/free academi
+
written in a variety of languages, and several auxillary scripts written in Python.
c 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 auxillary scripts written in Python.
+
  
 
= Start here =
 
= Start here =

Revision as of 07:40, 14 March 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 academi c 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 auxillary scripts written in Python.

Start here

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/.