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Reported by a phenix user. Steps to reproduce:
```
cd $dials_regression/image_examples/ALS_831
dials.image_viewer q315r_lyso_001.img # this works fine
cp q315r_lyso_001.img q315r_lyso1.img
dia…
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In `xfel`:
https://github.com/cctbx/cctbx_project/blob/9c0c21826614bf3694bc890019be6b089ef0bc89/xfel/clustering/singleframe.py#L10
But in `xfel/libtbx_config` `prime` isn't listed as a dependency:…
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The rotation axis is currently inverted for the SPring8 CCP4 workshop 2018 example data. This appears to be a regression between 1.11 and 1.12:
```
$ for i in 10 11 12; do echo DIALS 1.$i: ; dials.…
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This is the NeXus extension proposed and developed by James Parkhurst at Diamond for recording integrated reflection intensities after data reduction. The extension is already needed by scientists do…
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The DIALS test https://github.com/dials/dials/blob/master/test/algorithms/refinement/test_refine_multi_stills.py fails on Windows due to https://github.com/cctbx/cctbx_project/blob/master/rstbx/symmet…
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from format/nexus.py:
```
def __getitem__(self, index):
from scitbx.array_family import flex
import numpy as np
d = self.lookup[index]
i = index - self.offset[d]
data = self.dat…
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Get MARCXML data from CDS and Zenodo.
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I'm starting to work on a tool for fixing problems in PDB files. The goal is to have something that can load a file downloaded straight from RCSB, fix any problems with it in a completely automated w…