scenarios Directory Reference

Directory dependency graph for scenarios:

Directories
directory	beta_strand_homodimer_design
directory	chemically_conjugated_docking

Files
file	ca_to_allatom.cc
	An app which constructs an all atom model from a CA-only input trace. The inputs are the starting CA trace, a list of residue ranges corresponding to secondary structure elements (as best as can be inferred from the initial trace) and a set of backbone torsion fragments.
file	doug_dock_design_min_mod2_cal_cal.cc
file	FloppyTail.cc
	This app was initially intended for modeling the binding of a long unstructured C-terminal tail to some other part of a protein. It now works for N-terminal, C-terminal, and internal flexible regions. It works best as a method for sampling space to see what is possible, preferably in conjunction with extensive experimental constraints. It is not meant to produce ab-initio style models of folded complexes.