<meta http-equiv="content-type" content="text/html; charset=utf-8">In fact<br>
<br>
<blockquote cite="mid:AANLkTinU0L=BpND+7jQNr+HWjsnDO3+prUS-08qeB0x-@mail.gmail.com" type="cite">
<blockquote type="cite"><pre> anisotropic = "chain a"<br> anisotropic = "chain f"<br> anisotropic = "chain Y"<br> anisotropic = "chain T"<br> anisotropic = "chain U"<br>
anisotropic = "chain z"<br> anisotropic = "chain d"<br> anisotropic = "chain g"<br> anisotropic = "chain e"<br> anisotropic = "chain V"<br> anisotropic = "chain X"<br>
anisotropic = "chain n"<br></pre></blockquote>
</blockquote>
<br>
in this particular case it is equivalent to <br>
<br>
<blockquote cite="mid:AANLkTinU0L=BpND+7jQNr+HWjsnDO3+prUS-08qeB0x-@mail.gmail.com" type="cite">
<pre>anisotropic = "(chain a) or (chain f) or (chain Y) or (chain Y) or (chain U)"<br><br>(and so on.) <br></pre>
</blockquote>
<br>
However, when depositing to PDB please keep eye to make sure they do not
capitalize the chain ids - otherwise it will be disastrous.<br>
<br>
Also, in this particular case selecting it visually could be painful.<br>
<br>
Pavel.<br>
<br><br><div class="gmail_quote">On Thu, Jan 6, 2011 at 11:50 AM, Christian Roth <span dir="ltr"><<a href="mailto:christian.roth@bbz.uni-leipzig.de">christian.roth@bbz.uni-leipzig.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear all,<br>
<br>
I want refine a structure with several chlorides and want refine these chlorides<br>
anisotropic. I use the GUI for the setup and manipulate the eff file just before<br>
it starts. To my surprise my constrained group definitions are used, but my<br>
anistropic refinement definitions are removed I incorporated it as followed:<br>
adp {<br>
individual {<br>
isotropic = None<br>
anisotropic = "chain a"<br>
anisotropic = "chain f"<br>
anisotropic = "chain Y"<br>
anisotropic = "chain T"<br>
anisotropic = "chain U"<br>
anisotropic = "chain z"<br>
anisotropic = "chain d"<br>
anisotropic = "chain g"<br>
anisotropic = "chain e"<br>
anisotropic = "chain V"<br>
anisotropic = "chain X"<br>
anisotropic = "chain n"<br>
}<br>
but in the log the following is stated:<br>
adp {<br>
individual {<br>
anisotropic = "chain a"<br>
}<br>
Why are all the other definitions gone? And if I defined it wrong, how I have to<br>
define it correctly?<br>
The current version I use is 1.6.4-486<br>
<br>
Thanks<br>
<br>
Christian<br>
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</blockquote></div><br>