salilab / pmi

Python Modeling Interface
https://integrativemodeling.org/nightly/doc/ref/namespaceIMP_1_1pmi.html
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Allow creating more than 62 proteins with TopologyReader #257

Closed benmwebb closed 2 years ago

benmwebb commented 2 years ago

TopologyReader currently fails to build more than 62 proteins, since it tries to assign a unique chain ID to each one, and these are currently limited to a single character (upper or lower case A-Z, plus 0-9) to support PDB output. Allow assigning multi-character chain IDs, at least when only RMF or mmCIF output is needed.