How to install DOCK 3.8

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Revision as of 17:48, 31 August 2022 by Frodo (talk | contribs) (asd)
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Installation/Download

These instructions are only for developers. To install DOCK 3.8 for non-developers, please obtain a license via the DOCK license server [1] and download the software.

The up-to-date docking scripts for DOCK 3.8 are hosted primarily on github. https://github.com/docking-org/DOCK/tree/dev

If you already have a docking-org repository cloned to your machine, simply do the following: 

git pull
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
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