IDPConformerGenerator is a flexible, modular platform for generating ensembles of disordered protein states that builds conformers by sampling backbone torsion angles of relevant sequence fragments extracted from protein structures in the RCSB Protein Data Bank.

IDPConformerGenerator can efficiently build large and diverse conformer pools of disordered proteins, with user defined options enabling variable fractional population of secondary structures, including matching those assigned based on NMR chemical shift data. These conformer pools are intended to be utilized as input for further approaches to match experimental data, such as re-weighting or sub-setting algorithms.

Installation instructions are described in docs/installation.rst.

Usage instructions are described in the file docs/usage.rst. See also the example in the example/ folder.

v0.6.6