No subject

Mon Mar 12 09:43:37 PDT 2012

In a couple of my chains, one or two amino acids are in definite crystal co=
ntacts, and are therefore in a different rotamer/conformation compared to t=
he other ncs-related copies.

Unfortunately, I can't seem to find the right option / keyword to stop the =
refinement job moving these side-chains to agree with the rotamers found in=
 the other molecules of the asymmetric unit.

Many thanks,

Tony.

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Dr Antony W Oliver

Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Damage and Stability Centre
Science Park Road
University of Sussex
Falmer, Brighton, BN1 9RQ

email: antony.oliver at sussex.ac.uk<mailto:antony.oliver at sussex.ac.uk>
tel (office): +44 (0)1273 678349
tel (lab): +44 (0)1273 677512

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<div>Dear phenix.bb</div>
<div><br>
</div>
<div>How do I specifically exclude particular amino acids from torsion-angl=
e ncs?</div>
<div>From the GUI, it is not obvious.</div>
<div><br>
</div>
<div>In a couple of my chains, one or two amino acids are in definite cryst=
al contacts, and are therefore in a different rotamer/conformation compared=
 to the other ncs-related copies. &nbsp;</div>
<div><br>
</div>
<div>Unfortunately, I can't seem to find the right option / keyword to stop=
 the refinement job moving these side-chains to agree with the rotamers fou=
nd in the other molecules of the asymmetric unit.&nbsp;</div>
<div><br>
</div>
<div>Many thanks,</div>
<div><br>
</div>
<div>Tony.</div>
<div><br>
</div>
<div><br>
</div>
<div>
<div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
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---</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
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Dr Antony W Oliver</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
<br>
</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
Senior Research Fellow</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
CR-UK&nbsp;DNA Repair Enzymes Group</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
Genome Damage and Stability Centre</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
Science Park Road</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
University of Sussex</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
Falmer, Brighton, BN1 9RQ</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
<br>
</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
email:&nbsp;<a href=3D"mailto:antony.oliver at sussex.ac.uk">antony.oliver at sus=
sex.ac.uk</a></div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
tel (office): &#43;44 (0)1273 678349</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
tel (lab): &#43;44 (0)1273 677512</div>
</div>
<div style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line=
-break: after-white-space; font-family: Helvetica; font-size: medium; ">
<br>
</div>
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