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
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