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Hi Sarath,<br>
<br>
you need to use <br>
<br>
custom_nonbonded_symmetry_exclusions="chain B and resname ..."
<br>
<br>
as I explained in my email to you earlier this morning. This will
exclude the ligand from clashing with its symmetry mate.<br>
<br>
Let me know if you have questions.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 10/2/15 01:23, R Sarath wrote:<br>
</div>
<blockquote
cite="mid:2035222243.223009.1443774193437.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, Sans-Serif;font-size:8px">
<div id="yui_3_16_0_1_1443771926164_3728"><font
id="yui_3_16_0_1_1443771926164_3953" size="3">Hi,</font></div>
<div id="yui_3_16_0_1_1443771926164_3727"><font size="3"><br>
</font></div>
<div id="yui_3_16_0_1_1443771926164_3685" dir="ltr"><font
id="yui_3_16_0_1_1443771926164_3958" size="3">I have to
place two carbon atoms (C3 and C6 - in para positions) of a
cyclohexane ring from a ligand in special positions (I4</font><font
id="yui_3_16_0_1_1443771926164_3992" size="1">1</font><font
id="yui_3_16_0_1_1443771926164_3993" size="3">22
space-group), with C6' from the symmetry generated molecule
overlapping on C3 of the ligand. Can someone please suggest
me a way to do so. I tried changing the occupancies of C3
and C6 to 0.5. After refinement, I observe that they don't
overlap but instead spoil the fitting of neighbouring atoms
of the ligand.</font></div>
<div id="yui_3_16_0_1_1443771926164_3685" dir="ltr"><font
size="3"><br>
</font></div>
<div id="yui_3_16_0_1_1443771926164_3685" dir="ltr"><font
id="yui_3_16_0_1_1443771926164_3957" size="3">Thanks in
advance,</font></div>
<div id="yui_3_16_0_1_1443771926164_3685" dir="ltr"><font
size="3"><br>
</font></div>
<div id="yui_3_16_0_1_1443771926164_3685" dir="ltr"><font
size="3">Regards,</font></div>
<div id="yui_3_16_0_1_1443771926164_3685" dir="ltr"><font
id="yui_3_16_0_1_1443771926164_3955" size="3">Sarath</font></div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
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