DiffDock scipion plugin

Documentation under development, sorry for the inconvenience

Scipion framework plugin for the use of tools provided by DiffDock software

Install this plugin

You will need to use 3.0.0 version of Scipion to run these protocols. To install the plugin, you have two options:

• Stable version

scipion installp -p scipion-chem-diffdock

OR

• through the plugin manager GUI by launching Scipion and following Configuration >> Plugins

• Developer's version

1. Download repository:

git clone https://github.com/scipion-chem/scipion-chem-diffdock.git

2. Switch to the desired branch (main or devel):

Scipion-chem-diffdock is constantly under development. If you want a relatively older an more stable version, use main branch (default). If you want the latest changes and developments, user devel branch.

cd scipion-chem-diffdock
git checkout devel

3. Install:

scipion installp -p path_to_scipion-chem-diffdock --devel

• Binary files

Atom_struct_utils plugin is a pure Python module, no binary files are required.

• Tests

To check the installation, simply run the following Scipion test:

Buildbot status

Status devel version:

Status production version: