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 <[email protected]> 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 > ******************************************************* >
