PDB-Profiling: a programmatic interface integrating rich metadata of protein structures with flexible data accessibility

version: 0.3.3

Incorporating features from large-scale genome studies with precise molecular phenotypes still poses a challenging task in the context of data accessibility and flexibility. Many tools have been developed to provide genomic-protein coordinates mapping portal and integrate various functions, but within some specific datasets and go no further than displaying features and perform some in-house analysis which obstacles further batch analysis. PDB-Profiling, a programmatic interface, offers a broader range of metadata collected in real-time to perform accurate identifier-level or residue-level mapping of protein structures while organizing annotations at the same time. It also can retrieve the best-quality representative structure set of a target protein or protein-pair with collected features and introduced bs-score that contribute to scoring and ranking.

PDB-Profiling is released as a Python package with a command-line interface. It can be used as a Python module or command-line tool. The documentation and source code are freely available at https://github.com/naturegeorge/pdb-profiling.