Re: [ccp4bb] automise ncont

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: automise ncont
From: Clemens Grimm Clemens {- dot -} Grimm {- at -} BIOZENTRUM {- dot -} UNI-WUERZBURG {- dot -} DE
Date: 2010-04-29

Next message:
Subject: Protein X-Ray Crystallographers, Oxford
From: "Richenburg, Alexandra" Alexandra {- dot -} Richenburg {- at -} EVOTEC {- dot -} COM
Date: 2010-04-29

Subject: Re: automise ncont
From: "Edward A {- dot -} Berry" BerryE {- at -} UPSTATE {- dot -} EDU
Date: 2010-04-29

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 <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 <ncont.log
> 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 navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: automise ncont
From: Clemens Grimm Clemens {- dot -} Grimm {- at -} BIOZENTRUM {- dot -} UNI-WUERZBURG {- dot -} DE
Date: 2010-04-29

Next message:
Subject: Protein X-Ray Crystallographers, Oxford
From: "Richenburg, Alexandra" Alexandra {- dot -} Richenburg {- at -} EVOTEC {- dot -} COM
Date: 2010-04-29