How to install DOCK 3.8: Difference between revisions

Revision as of 23:28, 2 November 2022

you now have a directory pydock3-0.1.0 (or so)

git clone https://github.com/docking-org/pydock3
cd DOCK
DOCKBASE=$PWD

And retrieve the scripts from DOCK/docking/submit/sge and DOCK/docking/submit/slurm.

If you don't have the repository already cloned to your machine, you just need to clone it first:

git clone https://github.com/docking-org/DOCK.git
cd DOCK
DOCKBASE=$PWD

If you're on BKS, you can find DOCK 3.8 @ /nfs/soft/dock/versions/dock38/DOCK-current

DOCKBASE=/nfs/soft/dock/versions/dock38/DOCK-current

@@ Line 1: / Line 1: @@
-== Installation/Download ==
+== install ==
+* get a computer
+* go to dock.compbio.ucsf.edu. get a license.
+[https://dock.docking.org/Online_Licensing/dock_license_application.html dock.compbio.ucsf.edu]
-These instructions are only for developers. To install DOCK 3.8 for non-developers, please obtain a license via the DOCK license server [https://dock.docking.org/Online_Licensing/dock_license_application.html dock.compbio.ucsf.edu] and download the software.
+* download tarball
+* unpack tarball:   tar xzf dock.3.8_source.tar.gz
+you now have a directory pydock3-0.1.0 (or so)
-The up-to-date docking scripts for DOCK 3.8 are hosted primarily on github. https://github.com/docking-org/DOCK/tree/dev
+* make sure you have python 3.8 or later.
+* bash
+* source /nfs/soft/python/python3.8.5.sh
+* (some command to install)
-If you already have a docking-org repository cloned to your machine, simply do the following:
+==  access for developers ==
+* https://github.com/docking-org/pydock3
   <nowiki>
-git pull
+git clone https://github.com/docking-org/pydock3
 cd DOCK
 DOCKBASE=$PWD</nowiki>
@@ Line 25: / Line 35: @@
   <nowiki>
 DOCKBASE=/nfs/soft/dock/versions/dock38/DOCK-current</nowiki>
 [[Category:DOCK 3.8]]
 [[Category:Developers]]