Description Usage Arguments Value Examples
Consider atoms A-B-C-D forming a dihedral. Given coordinates for atoms A,B,C of the dihedral, the dihedral angle, bond angle, and bond length, calculate the Cartesian coordinates of atom D in the dihedral.
1 |
prev_atoms |
a 3x3 matrix of coordinates for atoms A-B-C in dihedral, listed by row |
length |
bond length between atoms C-D in dihedral |
bAngle |
planar bond angle between atoms B-C-D (in degrees) |
tAngle |
dihedral angle formed by atoms A-B-C-D (in degrees) |
Returns the vector of coordinates for the fourth atom in the dihedral
1 2 3 4 |
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