Dear IMP,
I was wondering if the resolution parameter in IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere should depend on the scale of the model. In most scripts I've seen on github, the resolution is set to 10. But I was thinking if Beadsize is 50 or 100, maybe it would make more sense to increase this parameter?
Thanks much,
Julian
On 05/22/2018 07:57 AM, Julian wrote: > I was wondering if the resolution parameter in > IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere should depend on > the scale of the model. In most scripts I've seen on github, the > resolution is set to 10. But I was thinking if Beadsize is 50 or 100, > maybe it would make more sense to increase this parameter?
The absolute value of the resolution is a bit misleading - it should really be thought of as more of an enumeration where resolution=0 corresponds to atomic resolution, resolution=1 to 1 residue per bead, and resolution=10 to >1 residue per bead. It shouldn't be necessary to change resolution when beadsize is changed.
Ben
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Ben Webb -
Julian