Well, yes, that's how I would do it (but with Emacs). But I guess the official way would be with Reflection Data Utilities -> Edit MTZ Datasets which will edit the dataset cells. It wraps keywords of CAD.
Martyn -----Original Message----- From: CCP4 bulletin board on behalf of Ed Pozharski Sent: Fri 11/13/2009 9:25 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] edit mtz cell in header? You may be able to open mtz files in a primitive text editor such as nano (I just did). It's a little awkward, as there are no line breaks. MTZ header is in the end of the file and it is plain text, so should be easy to edit manually - just make sure you don't introduce extra space. There are plenty of hex editors out there: http://en.wikipedia.org/wiki/Comparison_of_hex_editors On Fri, 2009-11-13 at 15:52 -0500, Matt Warkentin wrote: > Howdy folks > > I'm having an infuriating problem with an mtz file and sftools. I'm > sure this is an easy fix. Here's the situation: phaser gave me an > mtz and pdb file with bad cell information. It's I213, but the cell > is listed as > > 168.981 168.981 168.982 > > i.e. NOT cubic - this creates an error with my crystallography > software downstream (buster-TNT) > > So this looks like a bug in phaser, but I'm not worried about solving > that problem right now, I just want to go in and manually change the > cell info so its correct. This was easy for the pdb file obviously > because its ASCII, but the mtz is binary and requires the use of > programs that know how to read the header info. So I found sftools, > which is the program to use for that right? > > Within sftools, I said > > READ blah.mtz > > LIST CELL - at this point the incorrect cell was listed > > SET CELL > 168.981 168.981 168.981 - at this point the correct cell was listed > > LIST CELL - just to be sure, yes the correct cell is listed > > WRITE fixed.mtz > > QUIT > > Now, when I go open the new mtz file with my crystallography software, > it still complains and reports the incorrect cell. > > If I open fixed.mtz with sftools and LIST CELL it also reports the > incorrect cell. > > So it looks like sftools is not saving the correct cell to the mtz > file. Any thoughts? Is there another way to change that header? > > thanks > matt -- -- Scanned by iCritical.
