Re: [ccp4bb] automise ncont

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

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Subject: Re: Understanding Conformational Differences
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2010-05-03

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Date: 2010-05-03

Subject: Re: automise ncont
From: Thomas Juettemann juettemann {- at -} GMAIL {- dot -} COM
Date: 2010-05-03

Many thanks for all answers, it is greatly appreciated.

Best wishes,
Thomas

On Thu, Apr 29, 2010 at 09:50, Ian Tickle wrote:
> On Thu, Apr 29, 2010 at 4:25 PM, Edward A. Berry wrote:
>> Command-line param like XYZIN don't seem to be shell variables,
>> but can be set by variables:
>>
>> bin/ncont XYZIN $XYZIN <ncont${XYZIN}.log
>
> Actually command line parameters for CCP4 programs are indeed also
> shell variables, though they first have to be exported to the
> environment so they can be picked up by the program.
>
> So for example:
>
> setenv XYZIN input.pdb
> setenv XYZOUT output.pdb
> program_name <
> ..
> EOF
>
> produces exactly the same result as:
>
> program_name XYZIN input.pdb XYZOUT output.pdb <
> ..
> EOF
>
> If the variable is specified both in the environment and on the
> command line, then the latter is always used. What happens is that
> when say 'XYZIN input.pdb' is read from the command line (or it could
> be from anywhere), the function that processes the command line does
> an internal 'setenv XYZIN input.pdb' (thus overwriting any previous
> setting of XYZIN). Then whenever the value of the XYZIN variable is
> needed, say to open a file, the value is read back from the
> environment by the file-opening function.
>
> -- Ian
>

CCP4bb navigation

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

Previous message:
Subject: Re: Understanding Conformational Differences
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2010-05-03

Next message:
Subject: LINKR vs LINK ? procedure for modeling coordinated Zn+2
From: hari jayaram harijay {- at -} GMAIL {- dot -} COM
Date: 2010-05-03