[sharp-discuss] Re : Ta cluster
Sankaran Banumathi
banu@lsx9b.nsls.bnl.gov
Fri, 24 Oct 2003 12:21:44 -0400
Hi
Yes you can treat the cluster as a super atom at this resolution.
You have to keep occupancy really low, B-factor will probably go very high ..
I hope it helps. It is bit tricky at this resolution.
I have heared that there is some 'secret' keyword in SHARP where you can
treat a cluster in a more proper way, i.e. you apperently assign
something like a spherically averaged tantalum bromide cluster to the
sites that you have located. That should be more appropriate, but i have
no clue, nor experience on how to do this.
Banu
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Dr.Sankaran Banumathi
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NSLS
UPTON, NY - 11973
Tel Off: 001-631-344 8210
001-631-344 5609
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