Modeller plugin

Documentation under development, sorry for the inconvenience

This is a Scipion plugin that offers different Modeller tools. These tools will make it possible to carry out different functions for modelling protein structures (e.g: introducing mutations to structures)

Therefore, this plugin allows to use programs from the Modeller software suite within the Scipion framework.

Full documentation to this plugin can be found in the official documentation page.

Install this plugin

You will need to use Scipion3 <https://scipion-em.github.io/docs/docs/scipion -modes/how-to-install.html> to run these protocols.

1. Install the plugin in Scipion

The installation is automatic, but you need to register into modeller's website in order to obtain a license key, which must be edited in the modeller/modlib/modeller/config.py file.

Modeller is installed as a python module, however the module is only callable by using the bash file modeller/bin/modpy.sh. Click here for more information.

• Install the stable version (Not available yet)

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

  or

scipion3 installp -p scipion-chem-modeller

• Developer's version

  1. Download repository:

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

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

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

  cd scipion-chem-modeller
  git checkout devel

  3. Install:

  scipion3 installp -p path_to_scipion-chem-modeller --devel