Installation

MODE-TASK can be installed by following the instruction given at http://mode-task.readthedocs.io/en/latest/installation.html

For installing the pyMODE-TASK - a pymol plugin.

Requirements:

python
Tkinter
Pmw
numpy==1.13.1
cython==0.26
scikit-learn==0.19.0
scipy==0.19.1
sklearn==0.0
matplotlib==2.0.2
mdtraj==1.8.0

1. Download the project:

git clone https://github.com/RUBi-ZA/pyMODE-TASK.git

OR

Download zip from github page and extract to a directory.

2. Install dependencies:

Run the following command from within pyMODE-TASK directory

sudo pip install -r requirements.txt

pyMODE-TASK requires Tkinter and Pmw.1.3. Tkinter comes prepackaged with most standard python. Pmw could be installed by following the instruction from: http://pmw.sourceforge.net/doc/starting.html

3. Install pyMODE-TASK plugin in pymol:

3.1. Start pymol

3.2. Go to Plugin -> Plugin Manager, and clcik on install new plugin tab. Under install from local file click on ‘choose file…’ button. Browse the pyMODE-TASK.py and follow the on screen installation instructions.

3.3. If everything goes well, you can start the plugin from pymol plugin menu.

Usage

For more detailed documentation on installation and usage of the tool suite please see our [ReadTheDocs](http://pymode-task.readthedocs.io/en/latest/index.html) site