I changed my refine def file to read: map { mtz_label_amplitudes = "2FOFCWT" mtz_label_phases = "PH2FOFCWT" likelihood_weighted = True obs_factor = 2 calc_factor = 1 kicked = True fill_missing_f_obs_with_weighted_f_model = True } and I get the error: n_use = 1159 n_use_u_iso = 1159 n_use_u_aniso = 1141 n_grad_site = 0 n_grad_u_iso = 0 n_grad_u_aniso = 1141 n_grad_occupancy = 0 n_grad_fp = 0 n_grad_fdp = 0 n_anisotropic_flag = 1141 total number of scatterers = 1159 Sorry: Duplicate mtz_label_amplitudes:2FOFCWT at the end of refinement. Did I do something wrong? thanks FR On Aug 6, 2009, at 4:13 PM, Pavel Afonine wrote:
Hi Mark,
thanks! Yes, I think so. I will add this to the documentation.
Pavel.
On 8/6/09 3:08 PM, Dr. Mark Mayer wrote:
Hi Pavel,
It would be really nice if the Electron density maps section in the online docs for phenix.refine
http://www.phenix-online.org/documentation/refinement.htm#anch70
was updated to decribe all the different map options people have been asking about. Its much harder to find this info by digging through the Q&A on the bb.
Mark
_______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
--------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D