|
file | make_symmetric_task.cc |
| utility functions for handling of symmetric conformations
|
|
file | make_symmetric_task.hh |
| utility functions for handling with symmetric conformations
|
|
file | min_pack.cc |
| pack rotamers with minimization module
|
|
file | min_pack.hh |
| pack and minimize sidechains
|
|
file | optimizeH.cc |
| standard hydrogen optimization subroutine
|
|
file | optimizeH.hh |
| declaration of standard hydrogen optimization subroutine
|
|
file | pack_missing_sidechains.cc |
| function to fix missing sidechains in input PDBs (especially those surface lysines that get sidechain-backbone clashes!)
|
|
file | pack_missing_sidechains.hh |
| header for subroutine to run rotamer trials on residues missing sidechain density in a PDB
|
|
file | pack_rotamers.cc |
| pack rotamers module
|
|
file | pack_rotamers.hh |
| pack rotamers module header
|
|
file | packer_neighbors.cc |
| creates a graph that describes the possible connectivity induced by designing-in larger side chains
|
|
file | packer_neighbors.hh |
| creates a graph that describes the possible connectivity induced by designing-in larger side chains
|
|
file | rotamer_trials.cc |
| rotamer trials module
|
|
file | rotamer_trials.hh |
| rotamer trials module header
|
|
file | rtmin.cc |
| rotamer trials with minimization module header. Originally concieved of and implemented in Rosetta++ by Chu Wang.
|
|
file | rtmin.hh |
| rotamer trials with minimization module header
|
|