dihedral 0.0.4

Dihedral (torsion) angle calculations
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    3 out of 4 items documented2 out of 2 items with examples
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  • Source code size: 9.35 kB This is the summed size of all the files inside the crates.io package for this release.
  • Documentation size: 1.19 MB This is the summed size of all files generated by rustdoc for all configured targets
  • Ø build duration
  • this release: 11s Average build duration of successful builds.
  • all releases: 11s Average build duration of successful builds in releases after 2024-10-23.
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  • TianyiShi2001

dihedral

crates.io crates.io crates.io docs.rs

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.