How to install DOCK 3.8

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install

  • get a computer
  • go to dock.compbio.ucsf.edu. get a license.

dock.compbio.ucsf.edu

  • download tarball
  • unpack tarball: tar xzf dock.3.8_source.tar.gz

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

  • make sure you have python 3.8 or later.
  • bash
  • source /nfs/soft/python/python3.8.5.sh
  • (some command to install)

access for developers

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