Getting particle assignment from 3D variability

closed

#1

Hi,

I really like this analysis. But is there somehow the possibility to find out which particles are in which states? Thus that one could reconstruct these with higher resolution and try to calculate energy landscapes?

Best,

David


#2

There is - right now those values (the “reaction coordinates” of each particle along each variability dimension) are outputted from the 3D var job, but not much is done with them. In the next update of 3D Var we will have more options enabled in the 3D Var Display job to separate/cluster particles based on the reaction coordinates, and those subsets of particles will be usable for further analysis, as will the reconstructions computed from subsets of the particles.