API reference

The fairmd.idp package is organised as follows.

fairmd.idp

Package level constants: the data paths NMLDB_ROOT_PATH, NMLDB_DATA_PATH, NMLDB_SIMU_PATH, NMLDB_MOL_PATH, NMLDB_EXP_PATH and the return codes RCODE_SKIPPED, RCODE_COMPUTED, RCODE_ERROR.

fairmd.idp.core

Data model of the databank (System, SystemsCollection) and initialize_databank().

fairmd.idp.databankLibrary

Helpers to access simulation files, e.g. building an MDAnalysis universe from a system, mapping between simulation specific and universal atom names, and validating info.yaml files.

fairmd.idp.databankio

Downloading and resolving trajectory files from their DOI.

fairmd.idp.protein_functions

IDP specific analyses and quality evaluation against SAXS, chemical shift and spin relaxation experiments, including the retrieval of experimental data from the BMRB.

fairmd.idp.settings

Molecule, mapping and simulation engine definitions.

The remaining modules (fairmd.idp.analyze, fairmd.idp.quality, fairmd.idp.form_factor, …) are inherited from the lipid databank.

• fairmd.idp
  • Subpackages
  • Python files
  • Module contents