## atom.segID = a[1].segID
## atom.hetatm = 0
## atom.alternate = []
## atom.element = 'H'
## atom.number = -1
## atom.occupancy = 1.0
## atom.conformation = 0
## atom.temperatureFactor = 0.0
## atom.babel_atomic_number = a[2]
## atom.babel_type = a[3]
## atom.babel_organic=1
## bond = Bond( a[1], atom )
from Pmv.moleculeViewer import MoleculeViewer
mv = MoleculeViewer()
mv.addMolecule(mol)
mol.bondsflag = 1
mv.lines(mol)
v = []
l = []
g = mv.Mols[0].geomContainer.geoms['lines']
vc = len(g.vertexSet)
scale = [0, 1, -1, 2, -2, 3, -3, 4, -4]
add = -1
## for b in bonds:
## if b.bondOrder>1:
## b.bondOrder = 5
## break
## atom.segID = a[1].segID
## atom.hetatm = 0
## atom.alternate = []
## atom.element = 'H'
## atom.number = -1
## atom.occupancy = 1.0
## atom.conformation = 0
## atom.temperatureFactor = 0.0
## atom.babel_atomic_number = a[2]
## atom.babel_type = a[3]
## atom.babel_organic=1
## bond = Bond( a[1], atom )
from Pmv.moleculeViewer import MoleculeViewer
mv = MoleculeViewer()
mv.addMolecule(mol)
mol.bondsflag = 1
mv.lines( mol )
v = []
l = []
g = mv.Mols[0].geomContainer.geoms['lines']
vc = len(g.vertexSet)
scale = [0, 1, -1, 2, -2, 3, -3, 4, -4]
add = -1
## for b in bonds:
## if b.bondOrder>1:
## b.bondOrder = 5
## break
