Dear Wolfram
For
“I was looking for a well-defined, stable interface for scripting in python“
You can do much worse than using cctbx i.e.
>>> from iotbx import mtz
>>> m = mtz.object('scaled.mtz')
(then play with m i.e. help(m) to discover capabilities) – I use this all over
the place in xia2 & elsewhere for fun bits of analysis.
best wishes Graeme
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of wtempel
Sent: 06 October 2015 19:48
To: ccp4bb
Subject: Re: [ccp4bb] reading and querying MTZ files
Hello Boaz,
mtzdmp is what I currently use in conjunction with the unix utilities. But
small improvements/changes to the dump’s format could break any derivative
scripts. I was looking for a well-defined, stable interface for scripting in
python or shell, analogous to the CMTZ
library<http://www.ccp4.ac.uk/dist/html/C_library/cmtz_page.html>.
W.
On Tue, Oct 6, 2015 at 1:56 PM, Boaz Shaanan
<[email protected]<mailto:[email protected]>> wrote:
Mtzdump?
-------- Original message --------
From: wtempel <[email protected]<mailto:[email protected]>>
Date: 06/10/2015 12:41 (GMT-06:00)
To: [email protected]<mailto:[email protected]>
Subject: [ccp4bb] reading and querying MTZ files
Hello all,
besides tshell, grep, awk and friends, which utilities can you recommend for
non-interactively answering questions like:
> What are the resolution limits of column Free_Rflag?
Thank you,
Wolfram Tempel
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