corykornowicz / alltheaminoacids

ChimeraX module to support addition of any amino acid from ligand expo into a protein model for rapid Post Translational Model Development

AllTheAminoAcids

ChimeraX module to support addition of any amino acid from ligand expo into a protein model for rapid Post Translational Model Development

Important Note - it is not fully working as it doen't swap the amino acid into the protein just yet. The Chimera python module has a method for swappingAA hidden from the docs, and it also instantiates internal parameters for chimera. The most ideal scenario is hooking through that function for the most seamless integration.

IMPORTANT NOTE

This package requires some additional dependencies not installed automatically

• BeautifulSoup4
• rdkit-pypi

The hack for installing these involves launching the embedded ChimeraX python interpreter from outside the running application. I will work on a script to auto-magically pull these in without the headache.