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Since I do not think this is much used and we want to move forward, need to retire to reduce amount of code to maintain. Asked CCP4; response was "if they want mosflm, use imosflm"
Obviously old ve…
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## General Information
- ConKit version: 0.11.3
- Python version: 3.7
- Environment (if applicable): Anaconda
## Example
A minimal example to reproduce the error:
```
import conkit.io…
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Specifically
```bash
pytest --regression-full -n 3 \
"Test/Modules/Scaler/test_CCP4ScalerA.py::test_ccp4_scalerA[1]" \
Test/Modules/Integrater/test_DialsIntegrater.py::test_dials_integrater_se…
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Hi Team
The implementation of shape complementarity is based on the method Lawrence and Colleman ( https://www.ccp4.ac.uk/newsletters/newsletter39/02_sc.html), or which method was implemented? if t…
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After resolution of #357, this dataset now fails after running ctruncate:
```
$ xia2 pipeline=dials min_images=3 project=AUTOMATIC crystal=DEFAULT read_all_image_headers=False atom=S image=/dls/i0…
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@bkpoon
I pushed a change to the master branch which calls "coot" instead of "bin/coot"
Any thoughts on whether we need to handle both "coot" and "bin/coot"?
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Hi all,
I had a problem when I tried to make crystal from polygon. It happened to both the latest and the old version in Centos7.
================================================================…
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Thanks for maintaining a conda-forge build of AmberTools!
Has there been an effort to build `osx` builds of this feedstock? If not, I wonder if @hainm has some thoughts on how we might be able to g…
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Hi all, after #936 was merged the dials build on windows started failing with a linking error. We run it nightly by buildbot on pulse.lbl.gov. Here's the failure:
Creating library lib\dials_ut…
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In Bio/PDB/MMCIFParser.py
The mmCIF parser tries to parse aniso records from the mmCIF file.
It uses _atom_site.aniso_U[1][1] to determine if an atom has aniso records.
aniso records are sepa…