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 <[log in to unmask]>:
>>
>>> 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: [log in to unmask]
>> phone : +49 0931 888 84031
>> -------------------------------------------------
>>
>
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