dihedral 0.0.3

Dihedral (torsion) angle calculations
Documentation

dihedral

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This crate provides functions for working with dihedral angles. Currently, there are two functions:

  • dihedral calculates the dihedral angle in the range -π to π in accordance with biochemistry textbooks (see also: https://en.wikipedia.org/wiki/Dihedral_angle#In_stereochemistry)
  • dihedral_unsigned ignores the direction of rotation and outputs the angle within the range 0 to π. This function is faster than the above signed version.