| dihedral | index dihedral.py |
helper to display torsion angle values.
constructor:
Dihedral(as0,as1,as2,as3)
as[0-3] are atom.Atom objects, or strings or <atomSel>.AtomSels
containing single atoms
methods:
value():
return the value of the dihedral angle (in radians)
derivs():
return the value of the gradient of the dihedral angle for the four
atoms. The return value is a tuple:
(dPhidAtom0,dPhidAtom1,dPhidAtom2,dPhidAtom3)
atom0(), atom1(), atom2(), atom3():
return the requested atom.
The dihedral angle is the angle about atoms a2 and a3 below:
a3
/
a1-a2
/
a0
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| __package__ = None pyXplorHelp = Type help() for interactive help, or help(object) for help about object. | ||