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bjornwallner
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DockQ
DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
MIT License
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DockQ v2.0
#24
Closed
clami66
closed
2 months ago
clami66
commented
2 months ago
Introduces a bunch of new functionalities:
Automatic mapping of chains between model and native
Automatic scoring of multiple interfaces at the same time
pip installable, DockQ is now importable library. No need to compile external tools or run ancillary scripts
cython implementation is ~2-10x faster depending on the scenario
Transparent handling of mmCIF files, .gz files
multithreading now available to score multiple interfaces at the same time
Better flags to handle chain mapping
Various bugfixes (e.g. fixes #23 #16 #11 )
Introduces a bunch of new functionalities: