Python tools for VMD (Visual Molecular Dynamics)

Pyvmd aims to provide high-level pythonic interface to VMD.

• VMD with python support
• numpy
• setuptools - for installation only
• mock - for tests only

Pyvmd has standard setup.py based on setuptools. Install using python setup.py install.

Run vmd -python to start VMD with python shell. Then you can use pyvmd as any other python library.

Python scripts for VMD can be run using vmd -python -e my_script.py. You can pass arguments to the script using -args option.

Documentation with examples can be found in docs. Detailed documentation of API can be found using python's builtin help function.