Thats right - but instead of returning the shortest distance between the two, it returns the distance corresponding to the latest state to be added. This makes crosslink violation analysis (and distance-based model filtering) pretty difficult...
Andrea
On Fri, 16 Jul 2021, 02:17 Ben Webb, ben@salilab.org wrote:
> On 7/2/21 6:37 AM, Andrea Graziadei wrote: > > I am modeling a multistate system in PMI using > > CrossLinkingMassSpectrometryRestraint in imp-2.15, and trying to > > adapt imp-sampcon for the purpose. > ... > > After running replica exchange, i am trying to extract distances for > > my crosslinks (in theory 2 per protein copy, one in state 0 and one in > > state 1). > > If I'm understanding your setup correctly, each crosslink need only be > satisfied by one of the two states, so you would only get one distance. > > Ben > -- > ben@salilab.org https://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle >