Directory dependency graph for rjha:
Files | |
| file | MetalInterface.hh |
| This header contains helper functions common to metal interface pilot_apps. | |
| file | MetalInterfaceStructureCreator.cc |
| This is the application for a metal interface design project. In its initial conception, the idea was to design an interface between ankyrin and ubc12. First, RosettaMatch is used to design a histidine/cystine zinc binding site on ankyrin (3 residues). The fourth residue to coordinate a tetrahedral zinc then comes from ubc12 (present natively). This metal binding gets the interface going; the protocol searches rigid-body space to try to find a shape-complementary interaction and then designs the interface. | |
| file | NeighborMatch.cc |
| Finds residues neighboring a given residue across an interface. Intended for creating posfiles suitable for RosettaMatch. | |
| file | SurfaceGroups.cc |
| defines groups of neighbors on the surface of a pose | |
| file | ZincMatchFilter.cc |
| This application is designed to help filter through the matches from RosettaMatch. It calculates some of the geometry about the metal atom (currently the metal-ligand atom distances and the tetrahedral coordinations six ligand-metal-ligand angles (all of which should be 109.5). It also outputs a sum of squares for those values. | |
