Rosetta Core  2014.35
util Directory Reference
Directory dependency graph for util:
src/core/pack/task/operation/util

Files

file  interface_vector_calculate.cc
 Calculates the residues at an interface between two protein chains or jump. The calculation is done in the following manner. First the point graph is used to find all residues within some big cutoff of residues on the other chain. For these residues near the interface, two metrics are used to decide if they are actually possible interface residues. The first metric is to iterate through all the side chain atoms in the residue of interest and check to see if their distance is less than the nearby atom cutoff, if so then they are an interface residue. If a residue does not pass that check, then two vectors are drawn, a CA-CB vector and a vector from CB to a CB atom on the neighboring chain. The dot product between these two vectors is then found and if the angle between them is less than some cutoff then they are classified as interface.
 
file  interface_vector_calculate.hh
 calculates an interface definition based on a short distance