On 01/29/2018 02:12 PM, Fergal Duffy wrote: > The code in IMP.pmi.tools.shuffle_configuration uses > > xyz=[fb.get_value(IMP.FloatKey(4)), fb.get_value(IMP.FloatKey(5)), > fb.get_value(IMP.FloatKey(6))] > > to get the initial XYZ location of the Gaussian fb. > > However, this location does not return the same value as > > IMP.core.XYZ(fb)
While this code is rather ugly[*], it looks correct to me. The former returns local coordinates (i.e. in the reference frame of the owning rigid body) while the latter works in the global reference frame. I wouldn't expect them to be the same unless the rigid body's reference frame was at the origin.
What are the odd results you're referring to?
[*] It should be using fb.get_internal_coordinates() instead, which would make the intention clearer.
Ben