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Tools to model folding and evaluate thermodynamic properties for polymers and oligomers
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doc
examples
foldamers
structure_library
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README.md
environment.yml
manual.pdf
requirements.txt
setup.py

README.md

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'.

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