Implementation of Distance Geometry

Many types of structural information (distances, J-coupling data, chemical cross-linking, neutron scattering, predicted secondary structures, etc.) can be conveniently expressed as intra- or intermolecular distances. The distance geometry formalism allows these distances to be assembled and three-dimensional structures consistent with them to be calculated. It will also uncover any inconsistencies in the input data in the process.


Xplor-NIH 2023-11-10