28 Oct
2019
28 Oct
'19
7:50 a.m.
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_1HarmonicU...
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_1Pair... 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_1List...
Ben
--
ben@salilab.org https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle