The user can provide a set of conformations for the ligand or the protein or both. This allows, for example, to use a set of snapshots from a MD trajectory to define the conformational space that GPathFinder will explore.
The user can provide a set of conformations for the ligand or the protein or both. This allows, for example, to use a set of snapshots from a MD trajectory to define the conformational space that GPathFinder will explore.