protein-design-tools 0.1.0__tar.gz

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Files changed (11) hide show
  1. protein-design-tools-0.1.0/LICENSE +0 -0
  2. protein-design-tools-0.1.0/PKG-INFO +28 -0
  3. protein-design-tools-0.1.0/README.md +0 -0
  4. protein-design-tools-0.1.0/protein_design_tools.egg-info/PKG-INFO +28 -0
  5. protein-design-tools-0.1.0/protein_design_tools.egg-info/SOURCES.txt +9 -0
  6. protein-design-tools-0.1.0/protein_design_tools.egg-info/dependency_links.txt +1 -0
  7. protein-design-tools-0.1.0/protein_design_tools.egg-info/requires.txt +7 -0
  8. protein-design-tools-0.1.0/protein_design_tools.egg-info/top_level.txt +1 -0
  9. protein-design-tools-0.1.0/setup.cfg +4 -0
  10. protein-design-tools-0.1.0/setup.py +34 -0
  11. protein-design-tools-0.1.0/tests/test_protein_structure_utils.py +35 -0
protein-design-tools-0.1.0/LICENSE ADDED
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protein-design-tools-0.1.0/PKG-INFO ADDED
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+ Metadata-Version: 2.1
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+ Name: protein-design-tools
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+ Version: 0.1.0
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+ Summary: A library of tools for protein design.
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+ Home-page: https://github.com/drewschaub/protein-design-tools
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+ Author: Andrew Schaub
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+ Author-email: andrew.schaub@protonmail.com
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+ License: MIT License
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+ Classifier: Development Status :: 2 - Pre-Alpha
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+ Classifier: Intended Audience :: Developers
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+ Classifier: Intended Audience :: Science/Research
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+ Classifier: License :: OSI Approved :: MIT License
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+ Classifier: Natural Language :: English
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+ Classifier: Programming Language :: Python :: 3
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+ Classifier: Programming Language :: Python :: 3.6
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+ Classifier: Programming Language :: Python :: 3.7
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+ Classifier: Programming Language :: Python :: 3.8
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+ Classifier: Programming Language :: Python :: 3.9
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+ Classifier: Programming Language :: Python :: 3.10
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+ Classifier: Programming Language :: Python :: 3.11
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+ Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.13
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+ License-File: LICENSE
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+ Requires-Dist: numpy
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+ Provides-Extra: dev
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+ Requires-Dist: check-manifest; extra == "dev"
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+ Provides-Extra: test
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+ Requires-Dist: coverage; extra == "test"
protein-design-tools-0.1.0/README.md ADDED
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protein-design-tools-0.1.0/protein_design_tools.egg-info/PKG-INFO ADDED
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+ Metadata-Version: 2.1
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+ Name: protein-design-tools
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+ Version: 0.1.0
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+ Summary: A library of tools for protein design.
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+ Home-page: https://github.com/drewschaub/protein-design-tools
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+ Author: Andrew Schaub
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+ Author-email: andrew.schaub@protonmail.com
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+ License: MIT License
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+ Classifier: Development Status :: 2 - Pre-Alpha
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+ Classifier: Intended Audience :: Developers
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+ Classifier: Intended Audience :: Science/Research
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+ Classifier: License :: OSI Approved :: MIT License
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+ Classifier: Natural Language :: English
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+ Classifier: Programming Language :: Python :: 3
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+ Classifier: Programming Language :: Python :: 3.6
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+ Classifier: Programming Language :: Python :: 3.7
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+ Classifier: Programming Language :: Python :: 3.8
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+ Classifier: Programming Language :: Python :: 3.9
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+ Classifier: Programming Language :: Python :: 3.10
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+ Classifier: Programming Language :: Python :: 3.11
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+ Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.13
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+ License-File: LICENSE
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+ Requires-Dist: numpy
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+ Provides-Extra: dev
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+ Requires-Dist: check-manifest; extra == "dev"
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+ Provides-Extra: test
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+ Requires-Dist: coverage; extra == "test"
protein-design-tools-0.1.0/protein_design_tools.egg-info/SOURCES.txt ADDED
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+ LICENSE
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+ README.md
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+ setup.py
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+ protein_design_tools.egg-info/PKG-INFO
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+ protein_design_tools.egg-info/SOURCES.txt
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+ protein_design_tools.egg-info/dependency_links.txt
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+ protein_design_tools.egg-info/requires.txt
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+ protein_design_tools.egg-info/top_level.txt
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+ tests/test_protein_structure_utils.py
protein-design-tools-0.1.0/protein_design_tools.egg-info/requires.txt ADDED
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+ numpy
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+
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+ [dev]
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+ check-manifest
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+
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+ [test]
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+ coverage
protein-design-tools-0.1.0/setup.cfg ADDED
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+ [egg_info]
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+ tag_build =
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+ tag_date = 0
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+
protein-design-tools-0.1.0/setup.py ADDED
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+ from setuptools import setup, find_packages
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+
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+ setup(
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+ name='protein-design-tools',
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+ version='0.1.0',
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+ author='Andrew Schaub',
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+ author_email='andrew.schaub@protonmail.com',
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+ description='A library of tools for protein design.',
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+ long_description=open('README.md').read(),
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+ url='https://github.com/drewschaub/protein-design-tools',
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+ license=' MIT License',
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+ classifiers=[
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+ 'Development Status :: 2 - Pre-Alpha',
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+ 'Intended Audience :: Developers',
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+ 'Intended Audience :: Science/Research',
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+ 'License :: OSI Approved :: MIT License',
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+ 'Natural Language :: English',
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+ 'Programming Language :: Python :: 3',
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+ 'Programming Language :: Python :: 3.6',
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+ 'Programming Language :: Python :: 3.7',
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+ 'Programming Language :: Python :: 3.8',
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+ 'Programming Language :: Python :: 3.9',
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+ 'Programming Language :: Python :: 3.10',
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+ 'Programming Language :: Python :: 3.11',
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+ 'Programming Language :: Python :: 3.12',
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+ 'Programming Language :: Python :: 3.13',
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+ ],
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+ packages=find_packages(exclude=['tests*']),
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+ install_requires=['numpy'], # List your project dependencies here
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+ extras_require={
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+ 'dev': ['check-manifest'],
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+ 'test': ['coverage'],
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+ },
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+ )
protein-design-tools-0.1.0/tests/test_protein_structure_utils.py ADDED
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+ import unittest
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+
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+ import sys
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+ sys.path.append('../protein_design_tools')
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+ from protein_structure import ProteinStructure
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+ from protein_structure_utils import get_coordinates
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+
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+ class TestProteinStructureUtils(unittest.TestCase):
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+ def setUp(self):
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+ self.protein = ProteinStructure()
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+ self.protein.read_pdb("example.pdb", name="test")
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+
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+ def test_get_coordinates_all(self):
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+ all_coordinates = get_coordinates(self.protein, atom_type="all")
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+ # Add assertions here to check the result
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+ # For example:
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+ self.assertIsNotNone(all_coordinates)
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+ # Add more assertions based on your expected results
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+
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+ def test_get_coordinates_backbone(self):
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+ backbone_coordinates = get_coordinates(self.protein, atom_type="backbone")
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+ # Add assertions here to check the result
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+ # For example:
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+ self.assertIsNotNone(backbone_coordinates)
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+ # Add more assertions based on your expected results
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+
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+ def test_get_coordinates_sidechain(self):
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+ sidechain_coordinates = get_coordinates(self.protein, atom_type="sidechain")
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+ # Add assertions here to check the result
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+ # For example:
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+ self.assertIsNotNone(sidechain_coordinates)
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+ # Add more assertions based on your expected results
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+
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+ if __name__ == '__main__':
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+ unittest.main()