While playing around with the tutorial, I noticed that the accuracy calculation errors out:
imp_tutorial/rnapolii/analysis/accuracy.py
Traceback (most recent call last):
 File "accuracy.py", line 43, in <module>
ÂÂÂ pr.set_reference_structure(reference_rmf,0)
 File "/home/jmintser/IMP/imp-2.6.2_release/lib/IMP/pmi/analysis.py", line 898, in set_reference_structure
ÂÂÂ particles_resolution_one = self._get_structure(rmf_frame_index,rmf_name)
 File "/home/jmintser/IMP/imp-2.6.2_release/lib/IMP/pmi/analysis.py", line 524, in _get_structure
ÂÂÂ IMP.rmf.link_hierarchies(rh, self.prots)
 File "/home/jmintser/IMP/imp-2.6.2_release/lib/IMP/rmf/__init__.py", line 501, in link_hierarchies
ÂÂÂ return _IMP_rmf.link_hierarchies(*args)
_IMP_kernel.ValueException: Number of children doesn't match the number of representation nodes at Rpb1. They are 4 and 3 respectively. [2, 8, 1432, 1585] vs [Beads(representation, n3), Rpb1_Res:1(representation, n9), Rpb1_Res:10(representation, n1433)]
WARNINGÂ No frames were loaded from file "HierarchyLoadLink52" even though objects were linked or created.
As far as I understand this is because the representation details in the native.rmf3 do not exactly match those of the modeled system. This got me thinking about how the native.rmf3 was generated in the first place. The only way I can think of making a native rmf3 is to essentially run the modeling script keeping everything rigid and not shuffling the initial configuration. Is there no way to compare the model to an existing pdb if one exists
without worrying about reproducing the representation exactly?
Thanks much,
Julian