Hi Kelly
How about the 'echo-pipe' syntax, e.g.:
echo 'outp xplor\nexcl sigp .01\nlabin FP=F-obs SIGFP=SIGF-obs
FREE=R-free-flags' |mtz2various hklin in.mtz hklout out.mtz
(all on 1 line).
Any CCP4 program can be run from the CL in exactly the same way, i.e.
separate the program input lines with the line terminator character
(\n for PC/Linux but may be different for DOS or MAC - I can't help
you there as I don't use either). I find this is much easier than
using the 'here-is document' syntax (i.e. '<<EOF'), because if I make
a typo I can use the shell's line recall/editing facility until I get
it right, instead of re-typing the entire input all over (and in the
process probably make a different typo!).
Cheers
-- Ian
On Wed, Apr 27, 2011 at 5:58 PM, Kelly Daughtry <[log in to unmask]> 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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