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In the file `ample/util/options_processor.py`, the line:
`if optd['contact_file'] or optd['bbcontacts_file'] or not optd["no_contact_prediction"]:`
checks if contacts should be predicted. `no_co…
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User report, just reproduced:
```
Free space: 4542.74 GB
Host: cs04r-sc-com99-05
Contact: xia2.support@gmail.com
XIA2 0.5.484-g850f714
DIALS 1.dev.1892-gd377648
CCP4 7.0.046
Command l…
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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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Current fix of #91 is a temporary fix that is a non optimal solution to the refinement paradigm. Nick Pearce has implemented changes to the giant.merge_conformation scripts which should allow a better…
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We should have some minimal unit tests for the package.
They could be part of the package and wouldn't have to be separate. Look to use cStringIO to use tiny inline fixtures.
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**Issue:** Dimple is behaving inconsistently due to the lack of definition of cif restraints for a cofactor. Follow up from https://github.com/xchem/XChemExplorer/issues/24
**Solution:**
1. Gen…
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Can have finer grained control i.e.
```
[gw56@cs03r-sc-serv-16 integrate]$ dials_scratch.twin_laws INTEGRATE.HKL
1 possible operators
Le-page delta: 2.612 operator: -x,-z,-y
[gw56@cs03r-sc-se…
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Same deal as in https://github.com/bio-tools/biotoolsregistry/issues/284, there's a change in the regex to support (the eventual) use of collection IDs in semantic web applications.
Old pattern: [A…
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## Issue
- Free.mtz files are being reported as missing, when pandda.export is run from XCE.
- The files generated by pandda.export directly are moved from the pandda directory to the initial m…
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Hi All,
It might be a good idea to add a license to RABDAM before the paper is submitted. Does anyone have any preferences? From the available options [https://choosealicense.com/](https://choosea…
kls93 updated
7 years ago