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
> *******************************************************
|