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O.k. TLS can and will be done.
weight matrix is less defined and I can add it. But it may not be in
future backward compatible. If it is that necessary then I can add it.
Garib
On 5 Dec 2006, at 07:51, Dirk Kostrewa wrote:
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.. and the TLS parameters are also missing in the PDB header after
refinement with fixed input TLS ...
Best regards,
Dirk.
Bernhard Rupp wrote:
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Dear All,
refmac writes a very useful header on top
of the PDB files which it refined. That header is
again read by autodep at the EBI and becomes
part of the PDB file.
I think there is one important parameter missing
which is needed to reproduce the refinement:
The matrix weight used. Could that be included in
the refinement REMARK section?
Thx, br
--------------------------------------------
Bernhard Rupp
www.ruppweb.org
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Dirk Kostrewa
Paul Scherrer Institut
Biomolecular Research, OFLC/110
CH-5232 Villigen PSI, Switzerland
Phone: +41-56-310-4722
Fax: +41-56-310-5288
E-mail: [EMAIL PROTECTED]
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