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.
Subsections
Xplor-NIH 2025-03-21