Hi Pavel,
You say 25 lines, but there are zero - can you attach the code?
P
On Fri, Sep 12, 2025 at 11:57 AM Pavel Afonine
Hi James,
attached script shows how to do that in cctbx. ( And it is just 25 lines including comments compared Claud's 173 )
It uses 1yjp as a source of sample files to run the example, you can get it using
phenix.fetch_pdb 1yjp action=all convert_to_mtz=true
Pavel
On 9/12/25 11:28, James Holton wrote:
Greetings Phenix developers!
I have what I hope is a quick question. I'm trying to add a stack of phased structure factors together. Specifically from separate runs of phenix.fmodel. Normally, I'd use sftools for this, but the distributed version has a size limitation. According to Tom's phenix chatbot, I can use phenix.maps for adding two sets of structure factors together, but it seems to only want to combine an mtz with a pdb. There is iotbx.reflection_file_editor, but it only works from the GUI (and I want to add 1000 mtz files together). phenix.xmanip looks promising too, but again, seems to want a pdb and an mtz. Is there a recommended way to do this?
I've already asked this on CCP4BB, but I wanted to get the Phenix take on these kinds of manipulations.
Thank you,
-James Holton MAD Scientist
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-- ------------------------------------------------------------------------------------------ Peter Zwart Staff Scientist, Molecular Biophysics and Integrated Bioimaging Berkeley Synchrotron Infrared Structural Biology Biosciences Lead, Center for Advanced Mathematics for Energy Research Applications Lawrence Berkeley National Laboratories 1 Cyclotron Road, Berkeley, CA-94703, USA Cell: 510 289 9246 ------------------------------------------------------------------------------------------