PDBeCIF: an open-source mmCIF/CIF parsing and processing package.

ABSTRACT:

Background

Biomacromolecular structural data outgrew the legacy Protein Data Bank (PDB) format which the scientific community relied on for decades, yet the use of its successor PDBx/Macromolecular Crystallographic Information File format (PDBx/mmCIF) is still not widespread. Perhaps one of the reasons is the availability of easy to use tools that only support the legacy format, but also the inherent difficulties of processing mmCIF files correctly, given the number of edge cases that make efficient parsing problematic. Nevertheless, to fully exploit macromolecular structure data and their associated annotations such as multiscale structures from integrative/hybrid methods or large macromolecular complexes determined using traditional methods, it is necessary to fully adopt the new

SUBMITTER: van Ginkel G 

PROVIDER: S-EPMC8299628 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature