dp5.conformer_search.five_conf

Created on Wed Dec 17 15:20:18 2014

@author: ke291

Gets called by PyDP4.py if automatic 5-membered cycle corner-flipping is used.

Functions

FindFuranPlane(mol, furan)
FindPlane(atom1, atom2, atom3)
FindRotAngle(AxisAtom1, AxisAtom2, OutAtom, ...)
FindSubstAtoms(atom, outAtom, al)
GetUnitVector(Atom1, Atom2)
LstSqPlane(atom1, atom2, atom3, atom4)
PlaneError(atoms, a, b, c, d)
PointPlaneDist(norm, d, atom)
RotateAtom(atom, AxisAtom1, AxisAtom2, angle)
angle(v1, v2)
crossproduct(v1, v2)
dotproduct(v1, v2)
length(v)
main(f, ring_atoms)	Find the axis atoms Find all the atoms to be rotated