Difference between revisions of "Dihedral.m"

From Spinach Documentation Wiki
Jump to: navigation, search
m (Rename Arguments section heading to Parameters)
(Update function See also links and function index membership)
 
Line 25: Line 25:
  
 
==See also==
 
==See also==
[[frac2cart.m]], [[xyz2sph.m]], [[xyz2pms.m]], [[xyz2hfc.m]], [[xyz2dd.m]]
+
[[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]]''
 
''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