Shaoqz/refactor mutation api

ChemBioHTP / EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling

https://enzyhtp-doc.readthedocs.io

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Closed shaoqx closed 1 year ago

shaoqx commented 1 year ago

Mainly finished mutation_pattern submodule that designs a pattern to specify mutants.
Fixed many bugs along the way.
Created the backbone for the new mutation module, still need to finishes several functions.
Support pymol2 package in PyMolInterface
Add structure_selection submodule for selecting part of the structure using pymol-based pattern
Add a template for docstring of Science APIs

shaoqx commented 1 year ago

Cool! I revised those based on the comment! Thank you for reviewing!