[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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