On 16 Oct 2007, at 8:44, Tim Gruene wrote:
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Hi Iain,
I know there are (at least) two schools of thought and both have
their justification, and my suggestion does not explain you
phenomenon.
However, instead of setting the occupancy to zero, I
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Hi Iain,
I know there are (at least) two schools of thought and both have their
justification, and my suggestion does not explain you phenomenon.
However, instead of setting the occupancy to zero, I would rather delete
the affected atoms/ residue
There is a post-doctoral position is available in Dr. P. Shing Ho¹s
laboratory in the Department of Biochemistry & Molecular Biology at Colorado
State University to study halogen bonds for molecular engineering and drug
design. A wide range of projects ranging from X-ray crystallography to
biochem
Dear all,
I'm refining a structure (with TLS, Hs in riding positions) to 2.9A -
Rfree ~29.9%/Rfac 26.5% in Refmac5 v5.2.0019. Rmsd bonds 0.008A/1.1deg
angles.
In COOT (0.31) many of the residues whose side chains are (fully or
partially) set to 0.00 occupancy have really bad geometry...for w
Dear All,
is there someone who can point me to a beautiful
image of an energy landscape of a protein (enzyme)
along the reaction coordinate (the enzymatic pathway)?
Sorry for the non-ccp4 related request, but you
are the experts.
Best
Marius
Dr.habil. Marius Schmidt
Asst. Professor
University o
Dear All,
I am working with a data set which seems to be orthorhombic. The self
rotation function maps in P1 clearly show a 222 symmetry. Even mosflm detect
easily an orthorhombic space group. The fst problems is that the systematic
presences are rare: h00 are clearly 2n; 0k0 in bits seems to be
Dear Colleagues,
Thank you to the over 60 people who have written supporting CCP4. Your help
and support is much appreciated.
I don't want to sound like pledge week on PBS or children in need on BBC. I
know we are all busy, I promise this is the last posting. We need your
