Erros when aligning using DENSS

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Emily Herrell

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Mar 28, 2025, 10:04:07 PMMar 28
to BioXTAS RAW
Hello,

I'm getting the following errors when aligning a pdb file to my DENNS _refine.mrc:

An unexpected error has occurred, please report it to the developers.
System: Windows-10-10.0.26100-SP0
RAW version: 2.3.0
Prebuilt: True
ATSAS version: 3.2.1

Error:
Traceback (most recent call last):

  File "bioxtasraw\RAW.py", line 16108, in run_with_except_hook

  File "threading.py", line 982, in run

  File "bioxtasraw\RAWAnalysis.py", line 10981, in runAlign

  File "bioxtasraw\DENSS.py", line 5419, in run_align

  File "bioxtasraw\DENSS.py", line 3582, in __init__

  File "logging\__init__.py", line 2050, in basicConfig

  File "logging\__init__.py", line 1181, in __init__

  File "logging\__init__.py", line 1213, in _open

PermissionError: [Errno 13] Permission denied: 'C:\\Program Files\\RAW\\RAW\\MtFAAH2a_tetramer_prediction.log'

Emily Herrell

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Mar 29, 2025, 9:12:37 AMMar 29
to BioXTAS RAW
Attached are the files I'm using to align.
MtFAAH2a_0.06_0112-0118s_refine.mrc
MtFAAH2a_tetramer_prediction.pdb

Jesse Hopkins

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Mar 31, 2025, 1:57:40 PMMar 31
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Hi Emily,

I was able to reproduce this error on my Windows 11 test machine. It looks to me like there's a bug in the Windows version where it's trying to write a log file somewhere it shouldn't when you're using the DENSS alignment window. This is something I'll have to fix in the code. For now, you can work around it by running RAW as an administrator (e.g. right click on the application shortcut and select run as administrator for the right click menu). This will give RAW permission to write the log file it's trying to write. This isn't ideal, but the log file is small (2 KB), and won't hurt anything sitting in the RAW folder, so it shouldn't cause any problems.

Let me know if that work around works for you. I'll fix this in the next release, whenever that is.

All the best.

- Jesse

----
Jesse Hopkins, PhD (he/him)
Director, BioCAT
Sector 18, Advanced Photon Source
Research Associate Professor, Illinois Tech


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Emily Herrell

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Apr 1, 2025, 10:17:55 AMApr 1
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Hi Jesse,

Yes, running as administrator worked for me. Thanks!

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