Hi, Dear all,<br><br>I am refine a twin dataset with phenix 1.4-3 and CCI (2008_02_08_1610) on a CenOS 5.2 workstation. <br><br>When I run refine with twin law or order_solvent alone, the refinement is good. Everything goes smoothly. However if I enable refinement on both twin law and order_solvent, the error comes during the order_solvent refinement as below.<br>
<br>Start model:<br> number = 55 <br> b_iso_min = 5.52 (limit = 1.00)<br> b_iso_max = 60.32 (limit = 60.00)<br> b_iso_mean = 24.19 <br> anisotropy_min = 1.00 (limit = 0.10)<br>
occupancy_min = 1.00 (limit = 0.10)<br> occupancy_max = 1.00 (limit = 1.20)<br> dist_sol_mol_min = 2.13 (limit = 1.80)<br> dist_sol_mol_max = 4.38 (limit = 6.00)<br>Traceback (most recent call last):<br>
File "/Application/CCI/cci_apps_sources/phenix/phenix/command_line/refine.py", line 5, in <module><br> command_line.run(command_name="phenix.refine", args=sys.argv[1:])<br> File "/Application/CCI/cci_apps_sources/phenix/phenix/refinement/command_line.py", line 80, in run<br>
call_back_after_monitor_collect=call_back_after_monitor_collect)<br> File "/Application/CCI/cci_apps_sources/phenix/phenix/refinement/driver.py", line 1162, in run<br> call_back_after_monitor_collect = call_back_after_monitor_collect)<br>
File "/Application/CCI/cci_apps_sources/phenix/phenix/refinement/strategies.py", line 350, in refinement_machine<br> log = log)<br> File "/Application/CCI/cci_apps_sources/mmtbx/mmtbx/solvent/ordered_solvent.py", line 132, in __init__<br>
map_cutoff = self.params.primary_map_cutoff).peaks_mapped()<br> File "/Application/CCI/cci_apps_sources/mmtbx/mmtbx/solvent/ordered_solvent.py", line 324, in find_peaks<br> log = self.log)<br> File "/Application/CCI/cci_apps_sources/mmtbx/mmtbx/find_peaks.py", line 65, in __init__<br>
symmetry_flags = maptbx.use_space_group_symmetry)<br> File "/Application/CCI/cci_apps_sources/mmtbx/mmtbx/twinning/twin_f_model.py", line 2238, in electron_density_map<br> w2 = w2).fft_map(<br>
File "/Application/CCI/cci_apps_sources/mmtbx/mmtbx/twinning/twin_f_model.py", line 2126, in map_coefficients<br> "m_gradient"<br>AssertionError<br><br><br>Can anybody help me with this? Thanks a lot in advance!<br>
<br>Best Regards,<br><br>Shi Jiahai<br>Department of Biological Sciences,<br>National University of Singapore<br><br> <br><br>