28 Nov
2016
28 Nov
'16
3:21 a.m.
hello imp users,
I'm trying to use the pmi.SAXSISDRestraint to model with crosslinks and SAXS, ideally all in the ISD ReplicaExchange method, however it says I need isd2. Does this exist anywhere, or is the SAXS restraint not working in this capacity ?
I tried using it regardless, but it asks for a representation. I'm not sure how to get the representation. I tried the system, state, model, molecule, root_hierarchy, molecule.get_represented() ... how do i get the representation ?
any help greatly appreciated, thanks !
Josh