Difference between revisions of "Dihedral.m"
(Created page with "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. ...") |
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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) | ||
| + | |||
| + | ==Arguments== | ||
| + | |||
| + | 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]]'' | ||
Revision as of 19:20, 26 December 2018
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)
Arguments
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
