[−][src]Crate dihedral
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.
References
- https://math.stackexchange.com/a/47084
- https://en.wikipedia.org/wiki/Dihedral_angle#In_stereochemistry
Functions
dihedral | Calculates the dihedral angle, in the range -π to π, of the four ordered coordinates. |
dihedral_unsigned | Calculates the unsigned dihedral angle, in the range 0 to π, of the four ordered coordinates |