Re: [IMP-users] IMP: moving a gaussian decorated flexible bead

[Ben Webb <>]

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
--
                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle