MP.em.EnvelopeFitRestraint class
Dear IMP-users, I have a question regarding the IMP.em.EnvelopeFitRestraint class: As a simple test I just tried to evaluate this restraint with an EM density map and a set of particles corresponding to each subunits that fill the map. As coordinates for each particle, I have assigned a random vector belonging to the boundingbox of the density map. Depending on the coordinates of the particles, sometimes the restraint is correctly calculated, sometimes I get the following error message: File "/usr/local/lib/IMP-python/IMP/kernel/__init__.py", line 2183, in evaluate return _IMP_kernel.Restraint_evaluate(self, *args) _IMP_base.UsageException: Usage check failure: The point is not part of the grid Context: fit_restraint::evaluate/fit_restraint scoring::evaluate/fit_restraint scoring::do_add_score_and_derivatives/fit_restraint::add_score_and_derivatives/fit_restraint::do_add_score_and_derivatives Can somebody explain me this error? Thank you Karine
On 1/18/16 8:58 AM, Karine VOLTZ wrote: > I have a question regarding the *IMP.em.EnvelopeFitRestraint* class: > As a simple test I just tried to evaluate this restraint with an EM > density map and a set of particles corresponding to each subunits that > fill the map. > As coordinates for each particle, I have assigned a random vector > belonging to the boundingbox of the density map. > Depending on the coordinates of the particles, sometimes the restraint > is correctly calculated, sometimes I get the following error message: ... > _IMP_base.UsageException: Usage check failure: *The point is not part of > the grid* This shouldn't happen if your particles really are within the bounding box. Are you sure they are? If so, please send me a short Python script that demonstrates the problem, and I'll make sure it gets fixed. Ben -- ben@salilab.org https://salilab.org/~ben/ "It is a capital mistake to theorize before one has data." - Sir Arthur Conan Doyle
participants (2)
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Ben Webb -
Karine VOLTZ