Directory dependency graph for pcs:
Files | |
| file | PCSEnergy.cc |
| Implementation of class PCSEnergy. | |
| file | PCSEnergy.fwd.hh |
| forward declaration for PCSEnergy.hh | |
| file | PCSEnergy.hh |
| class that calculates energy from NMR pseudocontact shift data | |
| file | PCSEnergyCreator.hh |
| Declaration for the class that connects PCSEnergy with the ScoringManager. | |
| file | PCSLigandTransformMover.cc |
| Implementation of PCSLigandTransformMover. | |
| file | PCSLigandTransformMover.fwd.hh |
| forward declaration for PCSLigandTransformMover | |
| file | PCSLigandTransformMover.hh |
| Finds a ligand position and orientation that minimizes experimental PCS data through a grid search. The pose found by PCSLigandTransformMover can be used as starting position for subsequent ligand docking. | |
| file | PCSLigandTransformMoverCreator.hh |
| This class will create instances of PCSLigandTransformMover for the MoverFactory. | |
| file | PCSTensorOptimizer.cc |
| Implementation of class PCSTensorOptimizer. | |
| file | PCSTensorOptimizer.fwd.hh |
| forward declaration for PCSTensorOptimizer.hh | |
| file | PCSTensorOptimizer.hh |
| class that performs optimization of the lanthanide coordinates and other components of the PCSTensor in the laboratory frame. Used in combination with PCS grid search and SVD. | |
