DOCK Blaster: Difference between revisions

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This is a stub for DOCK Blaster.
DOCK Blaster is a program that does automatic docking.  


DOCK Blaster is a free docking service. You can:
The first version of DOCK Blaster appeared in 2009. Please see [https://wiki.docking.org/index.php/Category:DOCK_Blaster Category:DOCK_Blaster]


* Use DOCK Blaster to suggest new ligands to purchase and test as inhibitors against a target.
A re-write of the idea of DOCK Blaster, blastermaster.py, was part of the [[DOCK 3.7]] release in 2012.  
* Download ZINC, our free, dockable database of commerically- available compounds and use it with your own software.
* Browse our Top Hits Collection (THC) of pre-computed docking results against the PDB and MODBASE.
* Explore tutorial examples illustrating the use of many features
* Make a comment, report a bug, or suggest a feature.
* Request a local copy of DOCK3.5.5.4 and DOCK Blaster.
* Join the growing user community of DOCK Blaster enthusiasts.
* Register as an alpha- or beta-test user of this service.


[[DOCK Blaster:Prepare Input]]
In 2022 there were major developments.  First, we reorganized the DOCK repo into three repos:  
* [[DOCK Blaster:Prepare Receptor]]
* dock3 - the fortran source code and not much else
* [[DOCK Blaster:Prepare Ligand]]
* pydock3 - all the scripts to run docking except for 3d ligand building
* [[DOCK Blaster:Prepare Cofactor]]
* ligdock3 - 3d ligand building pipeline
* [[DOCK Blaster:Other input options]]
 
* [[DOCK Blaster:Input Troubleshooting]]
There is also
[[DOCK Blaster:Job Management]]
* cheminftools - various tools.
[[DOCK Blaster:Results Browser]]
 
[[DOCK Blaster:Test Compounds]]
DOCK is distributed via the dock license server dock.compbio.ucsf.edu where it is licensed for free to academics and for a small fee to companies.
[[DOCK Blaster:Advanced Troubleshooting]]
 
[[DOCK Blaster:Philosophy]]
The name of all the software together is "UCSF DOCK" and the current version is 3.8.1.0.0, so "UCSF DOCK 3.8.1.0.0"
[[DOCK Blaster:Dead End?]]
 
The automatic pipeline to run docking is "dockopt", which is part of [[DOCK3.8:Pydock3 | pydock3]]
 
The website that allows free public preparation of receptors for docking is called "dockopt".
 
[[Category:DOCK 3.8]]

Latest revision as of 22:07, 16 September 2022

DOCK Blaster is a program that does automatic docking.

The first version of DOCK Blaster appeared in 2009. Please see Category:DOCK_Blaster

A re-write of the idea of DOCK Blaster, blastermaster.py, was part of the DOCK 3.7 release in 2012.

In 2022 there were major developments. First, we reorganized the DOCK repo into three repos:

  • dock3 - the fortran source code and not much else
  • pydock3 - all the scripts to run docking except for 3d ligand building
  • ligdock3 - 3d ligand building pipeline

There is also

  • cheminftools - various tools.

DOCK is distributed via the dock license server dock.compbio.ucsf.edu where it is licensed for free to academics and for a small fee to companies.

The name of all the software together is "UCSF DOCK" and the current version is 3.8.1.0.0, so "UCSF DOCK 3.8.1.0.0"

The automatic pipeline to run docking is "dockopt", which is part of pydock3

The website that allows free public preparation of receptors for docking is called "dockopt".

Retrieved from "http://wiki.docking.org/index.php?title=DOCK_Blaster&oldid=14819"