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Hi
i remember having had this problem, but only when mixing programs from
different ccp4 versions. AFAIR the spacegroup name was changed from e.g.
P212121 to 'P 21 21 21' and if you went back and forth it was a problem.
I think I used reindex (of the version I wanted to work with) to just
insert the SG name back in.
HTH
Jens
Clemens Vonrhein wrote:
Hi Ian,
I don't know if that helps - but I used the attached script to
'convert' pre-CCP4_5.X types of MTZ files into CCP4_5.X files: not
elegant but works.
The trick is to set the spacegroup name in the header again by giving
the spacegroup number to MTZUTILS - which then fetches the (currently
correct) spacegroup name from the (currently used) library.
Cheers
Clemens
On Tue, Jun 27, 2006 at 06:57:57PM +0100, Ian Tickle wrote:
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Further investigation seems to reveal that files with 'P 3 2 1' that are
used as input to programs compiled with version 4 of the library have
the '...' stripped off, leaving P 3 2 1 which the MTZ header reading
routine in all versions of the library then strips further to P (and
reports as 'P'). Files written by programs compiled with version 5.0.2
& 6.x libraries don't have this problem. Hence there seems to be a
problem with some MTZ files having headers with corrupted space-group
name (i.e. the name is P 3 2 1 without the '...') which can't be read
properly by any program. The question is what to do about it?
-- Ian
-----Original Message-----
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On
Behalf Of Martyn Winn
Sent: Tuesday, June 27, 2006 8:53 AM
To: Tilo Strutz
Cc: [email protected]
Subject: Re: [ccp4bb]: SpaceGroupNames
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DM should be fine with spaces, provided it is as least as
recent as the
F2MTZ you are using.
Can you check what version of DM you are using?
If it is still a problem, can you give details of how you are running
DM, whether you are using GUI, etc
Cheers
Martyn
On Mon, 2006-06-26 at 18:30 +0200, Tilo Strutz wrote:
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Dear,
I have observed that F2MTZ creates space-group names with
spaces in-between, e.g. 'P 43 21 2',
independent on whether
SYMMETRY P43212
or
SYMMETRY 96
was given as card.
However, DM truncates the string down to 'P'.
Bug or feature?
How can I prevent F2MTZ from putting the spaces or how can
I prevent DM from cutting the string?
Is there a patch available?
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