mtz_to_cns calls mtz2various as far as I know.
If mtz2various works for you then you can use it directly. It too can be
run from the commandline. Look for the 'View Files from Job' --> 'View
Command Script' in the GUI to get help on syntax or look at the website
under examples (http://www.ccp4.ac.uk/html/mtz2various.html).
hth
-Bjørn
--
Bjørn Panyella Pedersen
Macromolecular Structure Group
Dept. of Biochemistry and Biophysics
University of California, San Francisco
On 2011-04-27 09:58, Kelly Daughtry wrote:
Hello all,
I am been unsuccessful in converting my mtz file into cns format and
bringing along my R-free reflections.
The interwebs tells me that the label should be FREE=label
So, on the command line I type:
mtz_to_cns hklin hklout F=F-obs SIGF=SIGF-obs FREE=R-free-flags
Yet I am always returned with an error that the label FREE is not
recognized.
I am able to run mtz2various in ccp4 using the GUI just fine with
selecting my R-free flag. The log file of that shows that the R-free
label is indeed FREE.
Thus, I am confused. How can I get this to run from the command line (so
I don't always have to open the GUI for one task).
Thanks in advance for any help you can provide!
Kelly Daughtry
*******************************************************
Kelly Daughtry, Ph.D.
Post-Doctoral Fellow, Raetz Lab
Biochemistry Department
Duke University
Alex H. Sands, Jr. Building
303 Research Drive
RM 250
Durham, NC 27710
P: 919-684-5178
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