CCP4ers, We have recently become interested in the use of TLS parameters for studying protein dynamics. In particular, we would like to generate an ensemble of conformations along the TLS trajectories to use as a starting point for protein design. Before jumping into this though, I'd like to ask the experts some questions.
Is it possible to create an ensemble of structures that represent the TLS motions? How? Would such structures be meaningful as starting points for further calculations? Thanks for your help. It is much appreciated. Dan Keedy and Bob Immormino Richardson Lab
