About	[

Satumut

satumut is a python package, wrappped around the pmx package that performs saturated mutations on proteins to study their effects on protein-ligand interactions via PELE simulations.

Given a position of a residue within a protein system:

it mutates to all the other 19 aminoacids by creating 19 PDbs
Then, it will create the files necessary for the PELE simulations the .yaml and the .sh files for each of the protein systems.

Software requirements

Development Status
- 1 - Planning
Environment
- Console
Intended Audience
- Science/Research
License
- OSI Approved :: MIT License
Natural Language
- English
Operating System
- Unix
Programming Language
- Python :: 3.7
- Python :: 3.8
Topic
- Scientific/Engineering :: Bio-Informatics

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satumut-0.9.2.tar.gz (38.7 kB view details)

Uploaded Jun 20, 2022 Source

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Uploaded via: twine/4.0.1 CPython/3.10.5

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