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| Bugzilla Link | [PR12727](https://bugs.llvm.org/show_bug.cgi?id=12727) |
| Status | NEW |
| Importance | P normal |
|…
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Navigating to the downloads page (https://cci.lbl.gov/cctbx_build/), which is linked to on the main doc page (https://cci.lbl.gov/docs/cctbx/getting_started/) has nothing available to download. (See a…
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When processing multi-crystal data where some sweeps start from image zero, export fails with a message like
```
Duplicate batch offsets detected: -1, 0
```
The BATCH number is an MTZ concept that…
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I tried command line installation for Phenix first so that I can choose a destination directory of my preference. Unfortunately my OS (Ventura 13) causes so many security issues and I get so many lib…
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I have a pseudo-orthorhombic dataset that can be *roughly* solved in P212121 but is not quite right. Trying to find out which axis has the crystallographic symmetry, I tried merging in P2111, P1211 an…
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Change the reading of PDB files from qFit infrastructure to CCTBX.
The main function that will need to change is fromfile(). The majority of this functionality is in the structure folder. The fromf…
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Currently, qFit cannot read in mmCIF files.
This enhancement would allow qFit (in qfit_protein, qfit_residue, qfit_ligand) to read in mmCIF files, store appropriate header information (link data, n…
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I get the following error when trying to convert reflections in an MTZ file to a png image:
```
$ cctbx.precession_view 7jun_-1.8.mtz labels=F-calc,PHIF-calc postscript=False output_file=7jun_-1.8.p…
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It is possible that CCTBX has not yet implemented the different radii for the different cases.
Also check the donor/acceptor flags to see if they match. Reduce sometimes has both flags set for the…
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Find each class of failure and report to Nigel and Dorothee so that we can decide what to do in each case.