[phenixbb] tls definitions

PhilEvans pre at mrc-lmb.cam.ac.uk
Tue Apr 1 05:43:52 PDT 2008


Sorry if this has been answered before, but I've only just joined this  
BB

In phenix.refine, I'm trying to make TLS groups consisting of multiple  
chains, eg

refinement.refine {
     strategy=individual_sites+tls+individual_adp
     adp {
     tls="chain A and chain B and chain Z"
     tls="chain C and chain D and chain Y"
     }
}

but it doesn't work: what should I do?

Phil

================== Extract refinement strategy and selections  
=================

individual_sites       = True
rigid_body             = False
individual_adp         = True
group_adp              = False
tls                    = True
individual_occupancies = False
group_occupancies      = False
group_anomalous        = False
size = 1356

n_use            =  1356
n_use_u_iso      =  1356
n_use_u_aniso    =  0
n_grad_site      =  0
n_grad_u_iso     =  0
n_grad_u_aniso   =  0
n_grad_occupancy =  0
n_grad_fp        =  0
n_grad_fdp       =  0
n_anisotropic_flag =  0
total number of scatterers =  1356
Sorry:
Empty selection in adp_tls selection.




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