<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
  <meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type">
</head>
<body bgcolor="#ffffff" text="#000000">
Hi Shi Jiahai,<br>
<br>
please download and install the latest version from nightly builds:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.phenix-online.org/download/">http://www.phenix-online.org/download/</a><br>
<br>
under "Nightly builds (version 1.4-4 and above)" goto "Latest
installers",<br>
<br>
and hopefully the problem will go away. <br>
<br>
Please let us know if this does not help.<br>
<br>
Pavel.<br>
<br>
<br>
On 8/4/09 6:47 AM, shi jiahai wrote:
<blockquote
 cite="mid:7d56b4050908040647p2daa4200y400de202aed2fd63@mail.gmail.com"
 type="cite">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>
&nbsp; number&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = 55&nbsp;&nbsp;&nbsp;&nbsp; <br>
&nbsp; b_iso_min&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = 5.52&nbsp;&nbsp;&nbsp; (limit = 1.00)<br>
&nbsp; b_iso_max&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = 60.32&nbsp;&nbsp; (limit = 60.00)<br>
&nbsp; b_iso_mean&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = 24.19&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <br>
&nbsp; anisotropy_min&nbsp;&nbsp; = 1.00&nbsp;&nbsp;&nbsp; (limit = 0.10)<br>
&nbsp; occupancy_min&nbsp;&nbsp;&nbsp; = 1.00&nbsp;&nbsp;&nbsp; (limit = 0.10)<br>
&nbsp; occupancy_max&nbsp;&nbsp;&nbsp; = 1.00&nbsp;&nbsp;&nbsp; (limit = 1.20)<br>
&nbsp; dist_sol_mol_min = 2.13&nbsp;&nbsp;&nbsp; (limit = 1.80)<br>
&nbsp; dist_sol_mol_max = 4.38&nbsp;&nbsp;&nbsp; (limit = 6.00)<br>
Traceback (most recent call last):<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/phenix/phenix/command_line/refine.py",
line 5, in &lt;module&gt;<br>
&nbsp;&nbsp;&nbsp; command_line.run(command_name="phenix.refine", args=sys.argv[1:])<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/phenix/phenix/refinement/command_line.py",
line 80, in run<br>
&nbsp;&nbsp;&nbsp; call_back_after_monitor_collect=call_back_after_monitor_collect)<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/phenix/phenix/refinement/driver.py",
line 1162, in run<br>
&nbsp;&nbsp;&nbsp; call_back_after_monitor_collect = call_back_after_monitor_collect)<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/phenix/phenix/refinement/strategies.py",
line 350, in refinement_machine<br>
&nbsp;&nbsp;&nbsp; log&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = log)<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/mmtbx/mmtbx/solvent/ordered_solvent.py",
line 132, in __init__<br>
&nbsp;&nbsp;&nbsp; map_cutoff = self.params.primary_map_cutoff).peaks_mapped()<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/mmtbx/mmtbx/solvent/ordered_solvent.py",
line 324, in find_peaks<br>
&nbsp;&nbsp;&nbsp; log&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = self.log)<br>
&nbsp; File "/Application/CCI/cci_apps_sources/mmtbx/mmtbx/find_peaks.py",
line 65, in __init__<br>
&nbsp;&nbsp;&nbsp; symmetry_flags&nbsp;&nbsp;&nbsp; = maptbx.use_space_group_symmetry)<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/mmtbx/mmtbx/twinning/twin_f_model.py",
line 2238, in electron_density_map<br>
&nbsp;&nbsp;&nbsp; w2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = w2).fft_map(<br>
&nbsp; File
"/Application/CCI/cci_apps_sources/mmtbx/mmtbx/twinning/twin_f_model.py",
line 2126, in map_coefficients<br>
&nbsp;&nbsp;&nbsp; "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>
&nbsp;<br>
  <br>
  <pre wrap="">
<hr size="4" width="90%">
_______________________________________________
phenixbb mailing list
<a class="moz-txt-link-abbreviated" href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>
<a class="moz-txt-link-freetext" href="http://www.phenix-online.org/mailman/listinfo/phenixbb">http://www.phenix-online.org/mailman/listinfo/phenixbb</a>
  </pre>
</blockquote>
</body>
</html>