foldamers

Package containing tools to model secondary structure formation in heteropolymers.


Keywords
foldamers, coarse, grained, models, parameter, re-weighting, oligomers, folding, mbar, polymer-structure, statistical-mechanics
License
MIT
Install
pip install foldamers==1.12

Documentation

This repository contains tools for building coarse-grained polymer models. These models are designed to interface with OpenMM and PyRosetta.

To use this repository install it using standard Python conventions:

python setup.py install

Dependencies:

For a detailed list of dependencies, and more detailed installation instructions, please read the "Installation notes" section of "manual.pdf".

Testing your installation:

Test your installation by opening a new Python session and typing the following:

import foldamers

For full documentation please refer to 'manual.pdf'.