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This file reports an irreducible clique of size 4 that has to be reduced using brute force. Reduce running on this file is very fast (fraction of a second) because it does not have any cliques, only …
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Not investigated in detail yet, but this command
```
xia2 small_molecule=true integrate.min_spots.overall=1 integrate.min_spots.per_degree=1 $(dials.data get -q l_cysteine_dials_output)
```
resul…
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Hello,
I work for a govt-funded project and as a contract requirement must install this software.
Back in 2014 when I last installed it on Ubuntu, the install threw the same error "No module na…
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`dxtbx.dlsnxs2cbf` assumes input data are from an Eiger detector:
https://github.com/cctbx/dxtbx/blob/bffa28ea73c9468d0c93c33a058822c96304ff5a/util/dlsnxs2cbf.py#L88
spcifically, this Eiger detector…
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Consider ~HEXADECIMAL~ hybrid-36 for `pdb_fromcif` to allow for more than 10000 atoms. Some programs may read this nomenclature:
https://github.com/haddocking/haddock-CSB-tools/blob/master/CAPRI/pd…
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loads of tests still failing on python 3. This one is run by azure:
https://dev.azure.com/cctbx/cctbx_project/_build/results?buildId=184
```
Standard error:
Traceback (most recent call last)…
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```
$ conda create -p "some_🤔"
$ ./bootstrap.py base --use-conda
Performing actions: base
Installing base packages using:
python modules/cctbx_project/libtbx/auto_build/install_conda.py --bui…
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I now have a preliminary `dxtbx` build that is based on the pre-compiled `cctbx` package:
https://dev.azure.com/azure-dxtbx/dxtbx/_build/results?buildId=382&view=logs&j=027b87a4-6108-54a2-25c3-e49002…
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`dials.refine` is able to recognize and use a `cctbx.python` when DIALS is sourced instead of `conda install`ed. We should enable a similar functionality in `laue.refine` and elsewhere in case the use…
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Attempt to commit with git on Windows. Ultimately it worked, but there were errors on the way...
```
C:\Users\fcx32934\sw\cctbx\modules\dxtbx>git commit
.git/hooks/pre-commit: line 10: C:Usersfcx32…