BinaryCIF and CIFTools-Lightweight, efficient and extensible macromolecular data management.

ABSTRACT: 3D macromolecular structural data is growing ever more complex and plentiful in the wake of substantive advances in experimental and computational structure determination methods including macromolecular crystallography, cryo-electron microscopy, and integrative methods. Efficient means of working with 3D macromolecular structural data for archiving, analyses, and visualization are central to facilitating interoperability and reusability in compliance with the FAIR Principles. We address two challenges posed by growth in data size and complexity. First, data size is reduced by bespoke compression techniques. Second, complexity is managed through improved software tooling and fully leveraging available data dictionary schemas. To this end, we introduce BinaryCIF, a serialization of Crystall

SUBMITTER: Sehnal D 

PROVIDER: S-EPMC7595629 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature