[ccp4bb]: RESONSES: PHS files made by XFIT

[Paul Hubbard <phubbard@post.its.mcw.edu>]

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Thanks for the responses. I have been told AWK is the simplest solution,
as this takes into account columns which overlap each-other (can
FORTRAN do this?????).

nawk '{printf "%5d %5d %5d %12.6f %12.6f %6.2f \n", $1, $2, $3, $4, $5,
$6}' < dmfs.phs > temp.phs

Note: XFIT has an option to make an MTZ file (I've never managed to make
it work in the past, though).

Thanks again



Paul Hubbard wrote:

> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
>
> Hi,
>
> This ultimately is a CCP4-related question. I want to take a PHS file
> made by XFIT and convert it to an MTZ file. However, the PHS is not
> justified, i.e.:
>
>    2   0   5 1056.129028 2462.555664 270.00
>    2   3   4 468.581848 533.688110 167.90
>    0   1   6 1170.407471 2805.206299  90.00
>
> Does anyone know a way of reformatting a file like this, so all the
> columns are correctly aligned?
>
> Thanks
>
> Paul Hubbard
> Dept. of Biochemistry
> Medical College of Wisconsin
> Phone: 414-456 4305
> Fax: 414-456 6510
> URL: iris9.biochem.mcw.edu

--
Paul Hubbard
Dept. of Biochemistry
Medical College of Wisconsin
Phone: 414-456 4305
Fax: 414-456 6510
URL: iris9.biochem.mcw.edu