Difference between revisions of "Dihedral.m"
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| − | Computes the dihedral angle between vectors specified by the four sets of atomic coordinates | + | {{DISPLAYTITLE:dihedral.m}} __NOTOC__ |
| + | 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]]'' | ||
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