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

[Altair Hernández Chinchilla <>]

Hi!

Thank you very much, it works! In my case I am working with different pairwise restrains, so I cannot apply the ListPairContainer in this case. However, I applied it when ExcludedVolumen is used with all the spheres I create!

Kind regards,

Altair

On Mon, 28 Oct 2019 at 15:50, Ben Webb <">> wrote:

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
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