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Re: [ccp4bb] automise ncont |
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CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: Re: automise ncont From: "Edward A {- dot -} Berry" BerryE {- at -} UPSTATE {- dot -} EDU Date: 2010-04-29 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 < 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 < > source $ncB > target $ncJ > maxdist $ncMAXD > eof > > end > end > > Clemens Grimm wrote: >> c-shell syntax would be: >> >> bin/ncont XYZIN 1FNT_BJ.pdb < >> source /*/B >> target /*/J >> maxdist 6.0 >> eof >> >> Best, >> Clemens >> >> >> >> Zitat von Thomas Juettemann >> >>> 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.Grimm@biozentrum.uni-wuerzburg.de >> phone : +49 0931 888 84031 >> ------------------------------------------------- >> > CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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