Dear CCP4 users,
I am a bit confused about the use of these terms in regards to structure
refinement statistics. When I process my data with SCALA, the program outputs
statistics in terms of total and unique numbers of observations. However,
when I use the MTZ files with REFMAC, the final PDB
Dear Naveed,
The situation can indeed be a bit confusing. The term
observations is actually used with two different senses in
SCALA. The first is in text such as the following:
Number of observations read :62154
Number of unique reflections read
I am aware that some programs report interesting numbers.
In addition to what Andrew wrote about resolution cutoffs and truncated
reflections, I'd like to mention another issue with systematically absent
reflections.
The number of observations or reflections that come from an integration
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Dear Crystallographers,
After one round of refinement (restrained refinement) with ligand, I inport the
.cif file through '-Import CIF Dictionary' into Coot. But when I am going for
'-Real Space Refine Zone' for the ligand, its showing Refinement set up
failure. Failed to find restrained for:
Dear All,
Thanks to Herb, John, Simanshu, and Anu for link:
http://www.ebi.ac.uk/thornton-srv/databases/pdbsum/Generate.html
to generate PDBsum like topology diagrams.
Partha
On Sun, Apr 15, 2012 at 8:08 PM, Parthasarathy Sampathkumar
spart...@gmail.com wrote:
Dear All,
I would like to
