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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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I've had problems building cctbx with the cma_es package. I'm using an intel compiler, and I am seeing warnings that indicate that this code is not C++11 compliant. I think I may be hitting a bug in…
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As far as I can tell there is a fundamental assumption in dxtbx of no more than one scan per input file:
https://github.com/cctbx/cctbx_project/blob/cc0cfc8ea0d3a8b1a230feac88b2226163695f62/dxtbx/d…
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Hello,
Can you tell me what are the licensing terms for Molprobity for commercial purpose ?
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I have files named:
`random_start/test_raf/Cocoa_proc/int-2-Cocoa_3_37023.pickle`
because of the 'tar' in start mod_input keeps trying to open the pickles as tar.
https://github.com/cctbx/cctbx_…
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This cctbx_project PR: https://github.com/cctbx/cctbx_project/pull/797 will remove the `setuptools=60 it's no longer safe to import anything from pip, doing so breaks setuptools as discussed here: htt…
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I have a beam model:
```
In [9]: print(self.experiment.beam)
Beam:
wavelength: 0.0250824
sample to source direction : {-0,0.0269665,0.999636}
divergence: 0
sigma divergence: 0
…
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I have data sets from the two- and three-modular detectors Rigaku HyPix-Arc100 and HyPix-Arc150. Now we support the ROD format (https://github.com/cctbx/dxtbx/issues/11), these data sets can be displa…
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The simtbx tests `tst_nanoBragg_basic.py` and `tst_nanoBragg_pilatus.py` do not appear to be complete. In both cases the `tst_all()` function exits before a comparison is made between the simulation a…
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This bug surfaced when we took a dataset with a huge number of frames (writing ~1100 *_data_*.h5 files). When we went to run `dials.find_spots` on this dataset, DIALS was extremely slow to start, and …