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Hi,
denzo 1.98.4 does NOT show this behaviour, i.e. the cell in the
scalepack output file is the same as the cell in the scalepack.log file
after post-refinement.
The same applies to the version of HKL2000 we run.
Johan
Phil Jeffrey wrote:
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Miller, Mitchell D. wrote:
The behavior you attribute to early versions of scalepack is still
described in the current manual.
Which assumes that they updated the manual when they updated the
software. I've seen the same behavior that Ed Berry reported.
Here is an example with 1.97.2 on Linux, run again just now to check:
Cell from .sca file:
125.486 125.486 59.256 90.000 90.000 90.000
Cell from first .x (denzo output) file:
126.422 126.422 59.575 90.000 90.000 90.000
Cell from postrefinement in scalepack:
125.486 125.486 59.256 90.000 90.000 90.000
It would be very interesting to hear from anyone running 1.97 or later
that did NOT see this behavior, since like Ed I've come to rely
on/expect this new behavior.
Regards,
Phil Jeffrey
Princeton
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Dr. Johan P. Turkenburg X-ray facilities manager
York Structural Biology Laboratory
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