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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Hi Fenyun,
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<div>I'm sorry for the trouble with mr_rosetta and your refinement_params file! I am not sure what is wrong, I tried a test using the test data available in phenix. You can get the test data with:</div>
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<div> phenix_regression.wizards.test_command_line_rosetta_quick test_refine_after_mr</div>
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<div>I tried the following command in the directory test_refine_after_mr that is created if you issue the command above:</div>
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<div> phenix.mr_rosetta seq_file=seq.dat search_models=coords1.pdb start=place_model stop=place_model data=fobs.mtz is_sub_process=True already_placed=true place_model.denmod_after_refine=False debug=True max_wait_time=1 refinement_params=twin.eff</div>
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<div>and the refinement did successfully use twin.ff, looking at <font size="2"> </font>WORK_2/coords1_ref_001.log<font size="2">:</font></div>
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<div>============================ Non-default parameters ===========================</div>
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<div>A complete record of all parameters was written to the .eff file above.</div>
<div>Below are only the non-defaults.</div>
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<div>#phil __ON__</div>
<div>refinement {</div>
<div> crystal_symmetry {</div>
<div> unit_cell = 25 25 25 90 100 90</div>
<div> space_group = "P 1 21 1"</div>
<div> ...</div>
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<div> twinning {</div>
<div> twin_law = "h,-h-k,-l"</div>
<div> }</div>
<div>}</div>
<div>#phil __OFF__</div>
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<div>If you would like to send me all the input files and full log file I'll be happy to try and figure out what is happening.</div>
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<div>All the best,</div>
<div>Tom T</div>
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<div id="divRpF470562" style="direction: ltr;"><font face="Tahoma" size="2" color="#000000"><b>From:</b> phenixbb-bounces@phenix-online.org [phenixbb-bounces@phenix-online.org] on behalf of Ni, Fengyun [fni@bcm.edu]<br>
<b>Sent:</b> Friday, March 27, 2015 11:02 AM<br>
<b>To:</b> phenixbb@phenix-online.org<br>
<b>Subject:</b> [phenixbb] can mr_rosetta include twin_law?<br>
</font><br>
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<p>Hi everyone,<br>
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<p>When I run phenix.mr_rosetta, I use the following file (twin.eff) to add the twin_law with the keyword: refinement_params=twin.eff. I checked the output that the phenix.refine stage could recognize this file. But the autobuild step can not read this file
and give the error information as follows, <br>
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<div>refinement.twinning {</div>
<div> twin_law = "h,-h-k,-l"</div>
<div>}</div>
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<div>Unable to read the parameters file twin.eff.<br>
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Is there anyway to overcome this issue? Thank you very much in advance!<br>
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<div>Fengyun<br>
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