Re: [ccp4bb] obtaining a difference of two columns in a mtz file

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

Previous message:
Subject: obtaining a difference of two columns in a mtz file
From: Arnon Lavie lavie {- at -} UIC {- dot -} EDU
Date: 2009-07-13

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From: Wei Zhang zhangwei19811003 {- at -} GMAIL {- dot -} COM
Date: 2009-07-14

Subject: Re: obtaining a difference of two columns in a mtz file
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2009-07-14

Arnon Lavie wrote:
> Hi - I would like to calculate the difference of two columns in a mtz
> file - specifically of the native and heavy atom structure factor
> columns. The difference should be in a new column. What is the easiest
> way of doing this?
>
> Arnon
>
>
sftools will do this. Here is a script to calculate something different
but a similar idea.

#!/bin/csh -f
# Run sftools to calculat I and SIGI from F and SIGF, and append results
# Scale both by 0.001
#
#
# mtzdmp /y/people/ccp4/cadd/hipip.mtz
# P21
# H K L FP SIGFP DANO SIGDANO

sftools <read /y/programs/xtal/ccp4-4.2.1/examples/toxd/toxd.mtz
CALC J COL ITOXD3 = 0.001 COL FTOXD3 * COL FTOXD3 *
CALC Q COL SIGITOXD3 = 0.002 COL FTOXD3 * COL SIGFTOXD3 *
WRITE toxd+I.mtz
END
eof

CCP4bb navigation

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

Previous message:
Subject: obtaining a difference of two columns in a mtz file
From: Arnon Lavie lavie {- at -} UIC {- dot -} EDU
Date: 2009-07-13

Next message:
Subject: moelcular replacement with large cell
From: Wei Zhang zhangwei19811003 {- at -} GMAIL {- dot -} COM
Date: 2009-07-14