Seems I confuse atom-selection syntax with filespec syntax here.
Anyway the idea is that shell variables will be substituted in
the input lines before they are passed to the program
Command-line param like XYZIN don't seem to be shell variables,
but can be set by variables:
bin/ncont XYZIN $XYZIN <<eof>ncont${XYZIN}.log
Edward A. Berry wrote:
And passing parameters (I haven't tested this):
#!/bin/csh -f
foreach ncB ( `ls /*/B` )
foreach ncJ ( `ls /*/J` )
set ncMAXD=6.0
bin/ncont XYZIN 1FNT_BJ.pdb <<eof>ncont.log
source $ncB
target $ncJ
maxdist $ncMAXD
eof
end
end
Clemens Grimm wrote:
c-shell syntax would be:
bin/ncont XYZIN 1FNT_BJ.pdb <<eof>ncont.log
source /*/B
target /*/J
maxdist 6.0
eof
Best,
Clemens
Zitat von Thomas Juettemann <juettem...@gmail.com>:
Dear all,
I am pretty new to the CCP4 suite. I am trying to automise the
execution and parsing of ncont.
Could someone advise me how (if possible) to pass parameters to the
program?
I am trying to do something like
bin/ncont XYZIN 1FNT_BJ.pdb
source /*/B
target /*/J
maxdist 6.0
and have the output redirected into a file.
Thank you for your time!
Best wishes,
Thomas
--------------------------------------------------
Dr. Clemens Grimm
Institut für Biochemie
Biozentrum der Universität Würzburg
Am Hubland
D-97074 Würzburg
Germany
e-mail: clemens.gr...@biozentrum.uni-wuerzburg.de
phone : +49 0931 888 84031
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