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From: "Ian Tickle" <[EMAIL PROTECTED]>
To: <[EMAIL PROTECTED]>
Cc: <[email protected]>
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X-OriginalArrivalTime: 05 Mar 2007 16:21:56.0880 (UTC)
FILETIME=[64E8B100:01C75F42]
> -----Original Message-----
> From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On
> Behalf Of Eleanor Dodson
> Sent: 05 March 2007 16:06
> To: [email protected]
> Subject: Re: [ccp4bb] MTZ format conversion
>
> All formats I know except CNS have single records per reflection.
>
> In CNS a reflection record can go over several lines - I
> know no way of
> avoiding requiring a format tt to read such a record..
>
> A clever programmer could parse a few lines and work one out, but in
> fact the format is not nec. consistent through the whole CNS file..
>
> The only safe way I think is to parse every line and recognise the
> different flags, then read the following number.
One simple way is to just remove all the non-numeric tags (e.g. with
jiffy Perl script like the one in f2mtz.doc), then read in everything in
free format - without the tags to worry about it doesn't matter how many
records each refln goes over. Of course the user would probably still
have to work out how many columns per refln there are and what they are
- I agree it would be tricky to do this automatically, you would be
relying on the user to know what the columns are. Also you might need
to delete unwanted columns _after_ conversion to MTZ.
-- Ian
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