<div dir="ltr">Hi Pavel,<div><br></div><div>Thank you, I will look into your suggestions.</div><div><br></div><div><b>I am confused by omega_esd_override_value </b></div><div><b><br></b></div><div><b>What is it supposed to do? </b></div>
<div><br></div><div>Why? Again curiosity of what phenix.real_space_refine can do. I am trying to stretch it to the max and see where is breaks….</div><div><br></div><div>Thank you</div></div><div class="gmail_extra"><br>
<br>
<div class="gmail_quote">On Wed, Jul 30, 2014 at 12:23 PM, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
George,<br>
<br>
perhaps you can use reference model restraints machinery to do
this..? Or perhaps you can tweak corresponding values in
mon_lib/list/mon_lib_list.cif file..?<br>
Both ways may not be exactly what you want but may offer a
reasonable work-around.<br>
<br>
Why you would like to do this?<br>
<br>
Pavel<div><div class="h5"><br>
<br>
<div>On 7/30/14, 11:53 AM, George
Devaniranjan wrote:<br>
</div>
</div></div><blockquote type="cite"><div><div class="h5">
<div dir="ltr">
<div class="gmail_quote">
<div dir="ltr">Hi<br>
<div><br>
</div>
<div>I was wondering if there is a way to restrain the omega
angles of the structure being refined to its starting
values while allowing the phi and psi dihedral angles to
vary?</div>
<div><br>
</div>
<div>I was looking at </div>
<div><br>
</div>
<div>omega_esd_override_value<br>
</div>
<div><br>
</div>
<div>discard_omega </div>
<div><br>
</div>
<div>in phenix.real_space_refine.</div>
<div><br>
</div>
<div>Thank you,</div>
<div>George</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
</div>
</div>
<br>
</div>
<br>
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</div></div><pre>_______________________________________________
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</blockquote>
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