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SBRG / ssbio

A Python framework for structural systems biology
http://ssbio.readthedocs.io/en/latest/
MIT License
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Option to run QC/QA for all structures #10

Open nmih opened 7 years ago

nmih commented 7 years ago

Currently, QC/QA for structures stops when a representative structure is found. However the following case is possible:

In these cases we want to have the alignment/residue mapping available for these structures but we might not have them. "set_representative_structure" doesn't sound like the right function to get that info. Also another issue is that the alignment info is stored as the "repchain_index" in the representative sequence itself. There should be a better place to store that info since we would want to map more than one structure to the sequence in these cases.

nmih commented 6 years ago

v0.9.5 should have addressed most of these ideas. QC/QA can't yet be run other for all proteins other than just doing the sequence alignments but that is the most important thing for now.