Difference between revisions of "Dihedral.m"
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phi=dihedral(A,B,C,D) | phi=dihedral(A,B,C,D) | ||
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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