Hi Phil,
In the documentation, they say it is a current limitation that:
"TLS and individual anisotropic ADP cannot be refined at once for the
same group"
http://www.phenix-online.org/documentation/refinement.htm
Don't know if the cci-apps version is different.
Regards, Partha
On Tue, Apr 1, 2008 at 1:43 PM, PhilEvans
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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