Re: [IMP-users] Maximum distance restraint between spheres

[Ben Webb <>]

On 10/28/19 4:33 AM, Altair Hernández Chinchilla wrote:
> How can I substiute the IMP.core.Harmonic with a maximum distance function?

Use HarmonicUpperBound instead:
https://integrativemodeling.org/2.11.1/doc/ref/classIMP_1_1core_1_1HarmonicUpperBound.html

Note also that individual IMP restraints are expensive. If you have a 
number of such restraints with the same distance, better to create a 
PairsRestraint:
https://integrativemodeling.org/2.11.1/doc/ref/classIMP_1_1container_1_1PairsRestraint.html
and put all the pairs of spheres you want to restrain in a 
ListPairContainer:
https://integrativemodeling.org/2.11.1/doc/ref/classIMP_1_1container_1_1ListPairContainer.html

	Ben
--
                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle