How do you solve the anomalous data Q - this might be useful for SHELX
too - the reflections do not have to follow each other, or I believe
even by hkl and -h -k -l; they can be a symmetry equivalent..
E
Kevin Cowtan wrote:
Here's an updated version of cns2mtz. The new version automatically
merges anomalous data, generates a full set of CCP4-style free sets
from the CNS test column, completes the data (unless you tell it not
to), and can take the cell and spacegroup information from a pdb file
as well as from the command line.
It converts every file I have automatically, but I haven't tested the
output extensively. More testing would be good. Mail me with any
problems.
x86 Linux binary available from here:
http://www.ysbl.york.ac.uk/~cowtan/cns2mtz/cns2mtz.html
