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It is clearly not a DM specific, but a ccp4 library problem.
/usr/local/ccp4-5.0.2/bin/DM is able to handle strings like 'P 3 2 1'.
A handmade compilation with sources from ccp4-5.0.d/src/dm_ causes the cut to
'P'.
A handmade compilation with sources from ccp4-6.0.1/src/dm_ works fine.
Could it be that there was a change somewhere between versions 5.0.d and 5.0.2 ?
Unfortunately, some of these chopped MTZ files have already infiltrated the EDS databank (for
instance 1K9I)
regards,
Tilo
Ian Tickle wrote:
We've just noticed this problem with P 3 2 1 too. This seems to be an
incompatibility between the version of the library used to create the
MTZ file and/or the current version of the library, because MTZDUMP
(compiled with v6.0.1) has the same problem with some but not all MTZ
files, e.g. it reports space-group name P 3 2 1 (with embedded spaces)
in the header as just 'P'. According to the history the file was
written in Dec 2004 by SORTMTZ (it doesn't say which version). Another
file with the space-group name 'P 3 2 1' (i.e. enclosed in '...') is
correctly reported. Somewhere there was presumably a switch from not
enclosing space-group names between '...' to using '...', but the
library can't handle the case of embedded spaces but no '...'. This is
not a recent change, MTZDUMP in versions 4.2 & 5 has the same problem!
-- Ian
--
Yours sincerely
T.Strutz
[EMAIL PROTECTED]
phone: 040 / 89902-203
fax : 040 / 89902-215
