Hi,

I have noticed an odd thing when trying to shuffle flexible beads decorated with Gaussian particles.

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)

And it looks like IMP.core.XYZ is actually the correct location of the floppy body, leading to some odd results when shuffling based on the fb.get_value() based locations.

What is the correct way to find the location of, and move, a Gaussian decorated flexible bead?

Fergal Duffy
Staff Scientist

Center for Infectious Disease Research
307 Westlake Ave N, Suite 500 | Seattle, WA 98109
206.256.7435 | fergal.duffy@cidresearch.org