Metadata-Version: 2.1
Name: pystapler
Version: 1.0.1
Summary: A Motif Hash Based Method for Matching Staples/Crosslinks into Peptides and Proteins
Home-page: https://github.com/atom-moyer/stapler
Author: Adam Moyer
Author-email: atom.moyer@gmail.com
License: UNKNOWN
Description: # stapler
        A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins
        
        ### Installation
        `pip install pystapler`
        
        ### Example
        ```python
        import pyrosetta
        pyrosetta.init()
        
        from pyrosetta.rosetta.core.select.residue_selector import TrueResidueSelector
        from pyrosetta.rosetta.core.select.residue_selector import ChainSelector
        
        from stapler import NativeDisulfideStapler
        
        default_residue_selectors = [TrueResidueSelector(), TrueResidueSelector()]
        ab_residue_selectors = [ChainSelector('A'), ChainSelector('B')]
        aa_or_ab_residue_selectors = [ChainSelector('A'), ChainSelector('A,B')]
        
        native_disulfide_stapler = NativeDisulfideStapler(
            residue_selectors=default_residue_selectors,
            minimum_sequence_distance=4
        )
        
        pose = pyrosetta.pose_from_file('input.pdb')
        
        for i, stapled_pose in enumerate(native_disulfide_stapler.apply(pose)):
            stapled_pose.dump_pdb(f'output_{i}.pdb')
        ```
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: C++
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Software Development
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: Unix
Description-Content-Type: text/markdown
