Thank you all for the replies. My goal was to learn about practical ways to
achieve convergence during refinement even if the supplied model for the
density will never be able to model the density adequately. I may experiment
with refmac's ability to terminate refinement when a criteria has been
Hi,
I am wondering if authors of refinement programs would like to consider putting
on their users wish list the ability of refinement programs to automatically
terminate once the refinement has reached convergence. Various refinement
metrics such as R factors, CC or RMS values typically will r
Hi,
In crystallography one of the features of a good map is that the histogram of
map values has skewness. Does this also apply to EM maps? Whereas X-ray maps
depicts the electron density EM maps depicts the electrostatic potential as I
understand it. Any pointers about skewness or not in EM ma
interested the attached bibliography style is named
MyIUCR.XSL, It should go into the folder
C:\Users\\AppData\Roaming\Microsoft\Bibliography\Style . Once
there, Microsoft word will make it available from the "Style" drop-down
list on the "References" tab.
Hope this helps
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++ or
Fortran given that python wasn't designed for CPU intensive tasks.
Rob
Sent from my Windows 10 phone
--
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
University of Cambridge
Cambridge Biomedical Campus
Wellcome
We build Phenix on all three platforms, i.e. Windows, Linux and MacOSX.
Microsoft provides great C/C++compilers for free on Windows. One minor issue
though is that since our software uses Python 2.7 binary compatibility with the
python2.7 installer requires that the rest of Phenix is built with
ned with. Again this can be overcome by making the wish.exe program from the
ActiveTcl folder the default program to use.
Regards,
Robert Oeffner, Ph.D.
Research Associate, Read group
Department of Haematology, University of Cambridge
Cambridge Institute of Medical Research
Wellcome Trust / MRC
Hi all,
When I use the superpose program for SSM aligning these two structures in
the following command line:
superpose 3BT1.pdb -s B 1OC0.pdb -s B superposed.pdb
The screen output reads:
PDB file 3BT1.pdb has been read in.
... 312 atoms selected using CID 'B'
PDB file 1OC0.pdb has been read i
