On Mon, Jul 12, 2010 at 9:20 AM, Alastair Fyfe <span dir="ltr"><<a href="mailto:afyfe@soe.ucsc.edu">afyfe@soe.ucsc.edu</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div text="#000000" bgcolor="#ffffff"><font face="arial, helvetica, sans-serif">2) after what appears to be a successful run on a pdb containing two
rna chains and solvent atoms 狢 (a) removed all non-RNA atoms and (b)
moved all RNA atoms to corresponding symmetry locations within the ASU.
No other changes were involved but I now receive the following python
stack trace:<br>
<br>
Compute maps.<br>
Traceback (most recent call last):<br>
硓ile "/home/afyfe/phenix/phenix-1.</font>
<font face="arial, helvetica, sans-serif">6.1-357/cctbx_project/mmtbx/command_line/maps.py",
line 192, in <module><br>
� �run(args=sys.argv[1:])<br>
硓ile
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/command_line/maps.py",
line 168, in run<br>
� 麖arams = params.maps.map_coefficients)<br>
硓ile
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/maps/__init__.py",
line 295, in __init__<br>
� 蠏oeffs = map_coefficients_from_fmodel(fmodel = fmodel, params = mcp)<br>
硓ile
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/maps/__init__.py",
line 257, in map_coefficients_from_fmodel<br>
� 蟵verage_maps � � �= False).map_coeffs<br>
硓ile
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/map_tools.py",
line 73, in __init__<br>
� 𦅙ap_helper_obj = fmodel.map_calculation_helper()<br>
AttributeError: 'twin_model_manager' object has no attribute
'map_calculation_helper'<br></font></div></blockquote><div><br></div><div>I believe kicked maps are incompatible with twinning - this is a long-standing bug. �The program will automatically apply a twin law if it thinks this will improve the R-factor (I think it needs to be at least 0.02 lower for this to happen); if you don't think this is appropriate, the latest version should have a checkbox to disable the twin law. 泎ut if you really do have twinning, no kick maps. 䒷orry! 狢 will see if I can modify the code to raise a more useful error message instead of just crashing.</div>
<div><br></div><div>-Nat</div></div>