24 Sep
2013
24 Sep
'13
7:24 a.m.
Hi all,
I have a question about the "set_coordinates_are_optimized" function in IMP 2.0.1.
In the IMP versions < 2.0, to set the coordinates of a given particle, e.g., P1 to (0,0,0), I would use the following code:
> fixedP = "1" > p = ps.get_particle(index) > p.set_name(pname) > if pname == fixedP: > d = IMP.core.XYZ(p) > d.set_coordinates(IMP.algebra.Vector3D(0,0,0)) > d.set_coordinates_are_optimized(False)
In IMP 2.0.1, even though, at this point, the coordinates of the particle "fixedP" are set to (0,0,0), the "set_coordinates_are_optimized" does not seem to work anymore (the coordinates of "fixedP" change during the optimization). Has this function beed replaced with a new one in the latest IMP version?
Thanks, Davide