Introduction
Optimize provides a PyMOL graphical interface to some of the molecular mechanics features available in openbabel, allowing the user to optimize (minimize) the energy of any molecule uploaded on PyMOL.
Installation
The plugin can be downloaded through the project Pymol-script-repo.
Optimize needs OpenBabel (and OpenBabel Python bindings) to be installed on your computer (see instructions here).
Note to Windows users: If you are using a 64-bit Windows, please install OpenBabel 64-bit from here
Usage
The plugin can be accessed using a graphic user interface (see figure 0) or from the PyMOL`s terminal. There are 5 types of optimization routines available now, 2 local and 3 global optimization routines.
== Local ..→