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

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


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.

"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle