Difference between revisions of "Dihedral.m"

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     phi=dihedral(A,B,C,D)
 
     phi=dihedral(A,B,C,D)
  
==Arguments==
+
==Parameters==
  
 
     A  -  row vector of cartesian coordinates  
 
     A  -  row vector of cartesian coordinates  

Revision as of 18:48, 5 June 2026

Computes the dihedral angle between vectors specified by the four sets of atomic coordinates. The atoms are assumed to be bonded as A-B-C-D.

Syntax

    phi=dihedral(A,B,C,D)

Parameters

    A  -  row vector of cartesian coordinates 
          for atom A

    B  -  row vector of cartesian coordinates 
          for atom B

    C  -  row vector of cartesian coordinates 
          for atom C

    D  -  row vector of cartesian coordinates 
          for atom D

Outputs

    phi - dihedral angle, degrees

See also

frac2cart.m, xyz2sph.m, xyz2pms.m, xyz2hfc.m, xyz2dd.m

Version 2.3, authors: Ilya Kuprov