pyProClust-GUI

A browser-based wizard-style Graphical Used Interface that can be used to:

• Generate (and run) pyProCT projects.
• Visualize pyProCT project's results.

Installation

pyProCT-GUI is quite easy to install using pip. Just write:

> sudo pip install pyProCT-GUI

If pyProCT is not yet installed in your system it will install it and all its dependencies.

Running it

> python -m pyproctgui.gui.main

The GUI will start a web server and pop a browser window up.

Used Javascript libraries

• chemdoodle
• handlebars
• jquery
  • jquery.ui
  • filetree
  • wizard (Kyle Florence)
• markdown
• spinjs
• jqplot
• threejs

Tutorial

Work In Progress! This documentation is not complete yet. If you have any question, please use Github features or send a mail to : victor.gil.sepulveda@gmail.com

BUGS

• Generating te script when choosing a dcd file does not work propperly. A new screen is needed to choose the "atom info" file.

TODO

• Offload all calculations to pyProCT
• Explore ANY generated clustering (even those which were not selected). This implies generate "on the fly" rmsfs, centers etc.