DOCK 3.7 Development: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
(asd) |
||
| (4 intermediate revisions by the same user not shown) | |||
| Line 4: | Line 4: | ||
See [[Github]] for how to get started. | See [[Github]] for how to get started. | ||
= Directories = | |||
* analysis : Tools to analyze docking results | * analysis : Tools to analyze docking results | ||
* bin: | * bin: not included in DOCK 3.7 distribution, but created during installation. the only directory that needs to be added to the path | ||
* common : Common libraries or tools for dockenv | * common : Common libraries or tools for dockenv | ||
* docking : DOCK and tools for submission of DOCK jobs | * docking : DOCK and tools for submission of DOCK jobs | ||
* install : set up centos packages and | * install : set up centos packages and [[RDKit]] | ||
* ligand : Ligand and database building tools | * ligand : Ligand and database building tools | ||
* proteins : Protein preparation tools and scripts | * proteins : Protein preparation tools and scripts | ||
* private : not included in DOCK 3.7 distribution, this is where you can put your own copy of AMSOL and other third party programs, licensed separately. | |||
* test : Tools and data for testing | * test : Tools and data for testing | ||
* dockenv : legacy scripts to be cleaned up and repositioned. This directory will not exist in the final version. | |||
= Current release = | |||
Current public release is March 25, 2014. DOCK 3.7 Beta 1.0. | |||
[[Category:DOCK 3.7]] | [[Category:DOCK 3.7]] | ||
Latest revision as of 04:19, 1 October 2015
This page is for DOCK 3.7 developers. Back to DOCK 3.7.
DOCK 3.7 is kept in github. https://github.com/docking-org/DOCK. See Github for how to get started.
Directories
- analysis : Tools to analyze docking results
- bin: not included in DOCK 3.7 distribution, but created during installation. the only directory that needs to be added to the path
- common : Common libraries or tools for dockenv
- docking : DOCK and tools for submission of DOCK jobs
- install : set up centos packages and RDKit
- ligand : Ligand and database building tools
- proteins : Protein preparation tools and scripts
- private : not included in DOCK 3.7 distribution, this is where you can put your own copy of AMSOL and other third party programs, licensed separately.
- test : Tools and data for testing
- dockenv : legacy scripts to be cleaned up and repositioned. This directory will not exist in the final version.
Current release
Current public release is March 25, 2014. DOCK 3.7 Beta 1.0.