newdhfr_un_change.hkl xn_easy_080326a.pdb input.xray_data.labels=FOBSx input.neutron_data.labels=FOBSn xray_data.r_free_flags.generate=True neutron_data.r_free_flags.generate=True refine_default.params
===================== joint neutron/xray refinement start =====================
Traceback (most recent call last):
call_back_after_monitor_collect=call_back_after_monitor_collect)
File "/usr/local/phenix-1.3-rc4/phenix/phenix/refinement/driver.py", line 1031, in run
call_back_after_monitor_collect = call_back_after_monitor_collect)
File "/usr/local/phenix-1.3-rc4/phenix/phenix/refinement/strategies.py", line 184, in refinement_machine
assert not neutron_refinement
AssertionError
I guess in my default parameters, something is wrong, particularly the bold word I highlighted. But I do not know how to fix. Does any one have a clue?\
Thanks and Happy New Year!
main {
bulk_solvent_and_scale = True
simulated_annealing = False
ordered_solvent = False
ncs = False
ias = False
number_of_macro_cycles = 3
max_number_of_iterations = 25
use_form_factor_weights = False
tan_u_iso = False
use_convergence_test = False
target = *ml mlhl ml_sad ls
min_number_of_test_set_reflections_for_max_likelihood_target = 50
max_number_of_resolution_bins = 30
reference_xray_structure = None
use_experimental_phases = None
compute_optimal_errors = False
random_seed = 2679941
scattering_table = wk1995 it1992 *n_gaussian neutron use_normalized_geometry_target = True
target_weights_only = False
use_f_model_scaled = False
max_d_min = 0.25
fake_f_obs = False