DDG scipion plugin

Documentation under development, sorry for the inconvenience

Scipion framework plugin for the use of tools provided by DDG (http://www.ddg-pharmfac.net/ddg/index.html). This plugin allows to use programs from the DDG software within the Scipion framework.

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-ddg

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-ddg.git

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

Scipion-chem-ddg 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-ddg
git checkout devel

3. Define browser

This plugin uses web browser to access the software servers online. Therefore, you need to specify which browser to use and its location. Do so editing the scipion.conf file and add the variables: - DDG_BROWSER = firefox/chrome/chromium (defines the browser to use, that must already be installed in your computer) - DDG_BROWSER_PATH = <path/to/browser> (defines the location of the binary for the browser use)

4. Install:

scipion installp -p path_to_scipion-chem-ddg --devel

• Tests

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

Buildbot status

Status devel version:

Status production version: