Molecula Paclet SymbolSee Also »|More About »

MDihedral

MDihedral[ { ato1 , ato2 , ato3 , ato4 } ]
returns the dihedral angle - also denoted torsion angle - formed by four atoms.
  • ato1, ato2, ato3 and ato4 are molecula hierarchical expressions with head MAtom.
  • Cartesian coordinates are used to compute the angle.
  • The dihedral angle (ato1, ato2, ato3, ato4) is equivalent to the angle formed by the two vectors (ato2, ato1) and (ato3, ato4).
  • Computed angles can be evaluated in different units: radians (Default), degrees or grades.
  • The following option can be given:
"Unit""Radian"returns evaluated angle in radians
  • Possible settings for "Unit" include:
"Radian"angle expressed in radians
"Degree"angle expressed in degrees
"Grade"angle expressed in grades