search

ihmwg / python-modelcif

Python package for handling ModelCIF mmCIF and BinaryCIF files
MIT License
9 stars 1 forks source link

Support ma_template_non_poly #5

Closed bienchen closed 2 years ago

bienchen commented 2 years ago

Soon I will need the ma_template_non_poly category for TBvar3D models to be deposited in ModelArchive. There are some models that were actually docking experiments, so a non-polymer ligand serves as a template.

benmwebb commented 2 years ago

This should be straightforward. We already support adding NonPolyChemComp to Entity, and python-ihm outputs the various IHM non-poly tables, so we should be able to use similar logic to output the MA non-poly tables too.