Ramachandran plot for a pair of torsion angles: torsion2.f

This utility computes two-dimensional distribution for a couple of torsion angles (Ramachandran plot). Distribution of several pairs of torsions can be averaged.

Input parameters for this utility follow after the trajectory parameters in the following format:

• The first non-commentary line is the name of the output file followed by an optional key “tab”. If “tab” key specified, the output is given as NxN table of the distribution. Otherwise, the output is given in three columns (as required for e.g. gnuplot):

  <first angle> <second angle> <probability>

• The second line contains two integer numbers:

  1) number of pairs of torsion angles 2) resolution (number of bins)

• Then site numbers of each torsion are given (four integer numbers for each torsion at each separate line). First, torsions of the first pair are listed, then of the second and so on.