Dear all,
I am trying to use the Rotate() function through the python API.
However, the method want as argument, something in the for of "double
const [9]" (there are also other overloads, but the problem is the
same). In what format do I pass a list/vector/matrix to Rotate()?
Ideally, I want to use the output from RotAboutAxisByAngle(), but I
can't just pass the resulting matrix3x3. However, I can get the
elements of the generated rotation matrix through something along the
lines of the following hoops+loops:
some_rotation_matrix = openbabel.matrix3x3(1)
some_rotation_matrix.RotAboutAxisByAngle(openbabel.vector3(1,2,3), 90)
rotation_matrix =[ [0.0 for i in range(3)] for j in range(3)]
for i in range(3):
for j in range(3):
print lol.Get(i,j)
rotation_matrix[i][j] = some_rotation_matrix.Get(i,j)
So how can I pass these elements on to Rotate(), in order to give my
molecule a specific rotation?
Best regards
Anders
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