DOCK Blaster: Difference between revisions
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DOCK Blaster is a program that does automatic docking. | |||
The first version of DOCK Blaster appeared in 2009. Please see [https://wiki.docking.org/index.php/Category:DOCK_Blaster 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 [[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".