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
