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As reported by the CCP4 core team, DUI in the CCP4 8.0 test bundle on MacOS 11.6.1 Big Sur (http://devtools.fg.oisin.rc-harwell.ac.uk/downloads/packages/ccp4-20211117-osx-clang-py3-pyside2.tar.gz) has…
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The Python exception (+ message) is missing in the traceback.
```python-traceback
2018-08-23 11:01:41,187 - root - DEBUG - AMPLE EXITING AT2...
File "/home/felix/develop/ccp4-7.0/lib/python2.7/…
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I cannot get refinement to work when the residue ID is larger than 9999 for one of the linked atoms. For example, with PDB 7K00, the link between MG and HOH in chain 'a' causes this error.
Command:…
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When running the installaion command (either `scipion3 installp -p /path/to/scipion-em-phenix --devel` or `scipion3 installp -p scipion-em-phenix`), I get this output.
```
Scipion v3.0.12 - Eugenius…
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Hi,
I have started using this package for data processing and it has so many great possibilities. I mainly parse and open .img files, but I am curious if converting images and saving them as .img s…
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Generating v2 data from XCA is currently failing due to missing files.
In my example the YAML output looks like this:
```
XX01ZVNS2B-x1680:
...
aligned_files:
B:
'301'…
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Check whether a front-end issue - it may also be a data upload issue, in which case, we should reassign to @duncanpeacock and @TJGorrie .
If I select this in the modal:
![image](https://user-imag…
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use h.exttyp to identify extended header format and parse into a human-readable type
#### types of extended headers
CCP4 | Format from CCP4 suite
-- | --
MRCO | MRC format
SERI | SerialEM. De…
ehgus updated
3 years ago
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Hello,
I've been using gemmi for a bit and I wanted to check that this was the intended behavior. I load in a X-ray map which has a map extent that is not equal to the unit cell. When I attempt to …
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Using pixel size of 0.970000 Angstroms/pixel
Running LM-BFGS ...
Reading header from input .star file and writing header to output .star file
---
Number of .star file lines transferred: 911144
Numb…