<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Tahoma
}
--></style>
</head>
<body class='hmmessage'>
Hi, Tom,<br><br>In the case of Autobuild (version 1.6.4), does the program automatically generate/extend FreeR_flags to the high resolution?<br><br>I have a 3 Ang native sca.file and a 3.5 Ang mtz map solved by MAD, and want to extend to 3 Ang for refinement.<br>I tried phenix.reflection_file_editor in GUI, and the new merging map looks the same as the original one.<br>I expect to see a map with higher resolution.<br><br>What's the difference of FreeR_flags generated by these two methods?<br><br><br>PC <br><br><br>> Date: Wed, 13 Oct 2010 04:34:11 -0600<br>> From: terwilliger@lanl.gov<br>> To: phenixbb@phenix-online.org<br>> Subject: Re: [phenixbb] Merging low resolution mtz file with high resolution sca file with phenix_reflection_file_editor<br>> <br>> Hi PC,<br>> <br>> The two methods will give related but not identical results.<br>> <br>> If you say<br>> <br>> phenix.autobuild data=solve_2.mtz hires_file=w1.sca seq_file=seq.dat<br>&g!
t; <br>> then the file AutoBuild_run_1_/expts_fobs_phases_freeR_flags.mtz will<br>> contain:<br>> FP SIGFP from w1.sca, converted from intensities to amplitudes.<br>> PHIB FOM HLA HLB HLC HLD from solve_2.mtz<br>> FreeR_flags generated by phenix.refine<br>> <br>> If you go to the GUI and use phenix.reflection_file_editor you can get a<br>> similar result if you select<br>> <br>> "all columns" from w1.sca, and select "edit arrays" and choose "output<br>> reflections as" amplitudes"<br>> <br>> and you select all the columns from solve_2.mtz EXCEPT FP SIGP<br>> <br>> This will yield:<br>> <br>> F+ SIGF+ F-SIGF- from w1.sca<br>> PHIB FOM HLA HLB HLC HLD from solve_2.mtz<br>> FreeR_flags generated by phenix.refine (not identical to the ones above<br>> from autobuild)<br>> <br>> In your case as you are supplying anomalous data in w1.sca (I assume) it<br>> may be easiest to let autobuild do it for you as it will!
merge the F+ and<br>> F- while the reflection file editor won't d
o that quite as easily.<br>> <br>> All the best,<br>> Tom T<br>> <br>> <br>> >><br>> >> Hi,<br>> >><br>> >> If I merge my low resolution mtz file with the high resolution sca file<br>> with phenix.reflection_file_editor GUI,<br>> >> is it the same as :<br>> >><br>> >> Merge in hires data<br>> >><br>> >><br>> >> phenix.autobuild data=solve_2.mtz hires_file=w1.sca seq_file=seq.dat<br>> in Phenix Autobuild?<br>> >><br>> >> PC<br>> >> _______________________________________________<br>> >> phenixbb mailing list<br>> >> phenixbb@phenix-online.org<br>> >> http://phenix-online.org/mailman/listinfo/phenixbb<br>> >><br>> <br>> <br>> <br>> _______________________________________________<br>> phenixbb mailing list<br>> phenixbb@phenix-online.org<br>> http://phenix-online.org/mailma!
n/listinfo/phenixbb<br> </body>
</html>