Difference between revisions of "Dihedral.m"

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Computes the dihedral angle between vectors specified by the four sets of atomic coordinates. The angle is returned in degrees. The atoms are assumed to be bonded as A-B-C-D. Syntax:
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{{DISPLAYTITLE:dihedral.m}} __NOTOC__
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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.
  
                phi=dihedral(A,B,C,D)
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==Syntax==
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    phi=dihedral(A,B,C,D)
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==Parameters==
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    A  -  row vector of cartesian coordinates
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          for atom A
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    B  -  row vector of cartesian coordinates
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          for atom B
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    C  -  row vector of cartesian coordinates
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          for atom C
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    D  -  row vector of cartesian coordinates
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          for atom D
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==Outputs==
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    phi - dihedral angle, degrees
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==See also==
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[[frac2cart.m]], [[xyz2sph.m]], [[xyz2pms.m]], [[xyz2hfc.m]], [[xyz2dd.m]], [[anas2mat.m]], [[ang2cgsppm.m]], [[axrh2mat.m]], [[castep2nqi.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[eeqq2nqi.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2axrh.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[spsk2mat.m]], [[tsm2param.m]], [[zfs2mat.m]], [[Kernel_utilities]]
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''Version 2.3, authors: [[Ilya Kuprov]]''

Latest revision as of 19:35, 6 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, anas2mat.m, ang2cgsppm.m, axrh2mat.m, castep2nqi.m, cgsppm2ang.m, conmat.m, dictum.m, eeqq2nqi.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, spsk2mat.m, tsm2param.m, zfs2mat.m, Kernel_utilities

Version 2.3, authors: Ilya Kuprov