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setup.py
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setup.py
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import os
from setuptools import setup
def read(fname):
return open(os.path.join(os.path.dirname(__file__), fname)).read()
setup(
name = 'MSMSeeder',
version = '0.2',
author = 'Daniel L Parton',
author_email = 'daniel.parton@choderalab.org',
description = 'Generation of diverse protein structural ensembles, for the initialization of molecular dynamics simulations and subsequent construction of Markov state models. ',
long_description = read('README.md'),
packages = ['MSMSeeder', 'tests'],
scripts = ['scripts/InitMSMSeederProject.py', 'scripts/GatherTargets.py', 'scripts/GatherTemplates.py', 'scripts/BuildModels.py', 'scripts/RefineImplicitMD.py', 'scripts/Solvate.py', 'scripts/RefineExplicitMD.py', 'scripts/PackageModels.py'],
data_files = [('', ['LICENSE']), ('templates', ['project-data.yaml-TEMPLATE', 'manual-specifications.yaml-TEMPLATE'])],
)