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[git/cctbx_project] master: Converting get_class to std::string to be able to handle longer residue names. More tests for extended fields. (33d71d7450)
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CCTBX commit |
Fri, 30 Jun 2023 15:41:01 -0700 |
1248 lines |
[git/cctbx_project] master: Update CHANGELOG.rst for 2023.6 release (3268db1cd1)
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Fri, 30 Jun 2023 13:32:31 -0700 |
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[git/cctbx_project] tag 'v2023.6' created
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Fri, 30 Jun 2023 13:32:31 -0700 |
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[git/dxtbx] main: Drop Python 3.8 support (#642) (1625cfa4)
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Fri, 30 Jun 2023 09:42:21 +0100 |
301 lines |
[git/dxtbx] main: Use importlib instead of pkg_resources (#643) (71d4ec04)
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Thu, 29 Jun 2023 21:24:38 +0000 |
369 lines |
[git/dxtbx] main: DIALS 3.15.1 Changelog (6c6d6659)
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Thu, 29 Jun 2023 20:24:55 +0100 |
112 lines |
[git/cctbx_project] master: More informative plot for xfel.merge cosym worker. (7dccf75505)
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Thu, 29 Jun 2023 10:05:06 -0700 |
129 lines |
[git/cctbx_project] master: Merging program supports both mtz and sf.cif (#901) (cd5a215da6)
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Thu, 29 Jun 2023 09:57:47 -0700 |
325 lines |
[git/cctbx_project] master: Update README.md (bfa39fa581)
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Wed, 28 Jun 2023 18:16:08 -0700 |
223 lines |
[git/cctbx_project] master: added bound energy option to QMR (7d6e755dbc)
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Wed, 28 Jun 2023 12:57:06 -0700 |
480 lines |
[git/cctbx_project] master: Cleanup (b6e73b14ce)
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Wed, 28 Jun 2023 11:31:03 -0700 |
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[git/cctbx_project] master: Switching hierarchy resname from str3 to std::string (f01dc58c69)
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Wed, 28 Jun 2023 11:10:04 -0700 |
1273 lines |
[git/cctbx_project] master: More robust implementation for is_similar_hierarchy (8febaf52e2)
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Wed, 28 Jun 2023 11:10:04 -0700 |
105 lines |
[git/cctbx_project] master: Mimic PDB behavior with changing resname from str3 to std::string, assuring resname is at least 3 characters long coming from mmCIF. (44f7d293c8)
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Wed, 28 Jun 2023 11:10:04 -0700 |
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[git/cctbx_project] master: mmtbx.qi to run energies and some rama functions (2c503343e7)
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Tue, 27 Jun 2023 15:38:27 -0700 |
272 lines |
[git/cctbx_project] master: Refactoring out any_file usage where the type of the file is obvious. (#896) (7a88df91a6)
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Tue, 27 Jun 2023 15:16:20 -0700 |
271 lines |
[git/dxtbx] main: MNT: Skip tests removed from DLS filesystem (133ca8e4)
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Tue, 27 Jun 2023 14:22:04 +0100 |
130 lines |
[git/dxtbx] main: Fix for nxmx import overwritten by local variable (#641) (f5e835c1)
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Tue, 27 Jun 2023 14:08:30 +0100 |
297 lines |
[git/cctbx_project] master: CI: Use pytest=7.0.1 on Windows (39ac03778b)
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Mon, 26 Jun 2023 17:36:54 -0700 |
97 lines |
[git/cctbx_project] master: CI: switch to pip version of pytest 7.0 for Windows (d25bae85ab)
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Mon, 26 Jun 2023 15:23:40 -0700 |
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[git/cctbx_project] master: Show error instead of traceback (6c51a547d6)
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Mon, 26 Jun 2023 10:25:34 -0700 |
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[git/cctbx_project] master: Normalize diffuse rotations (#890) (1750992220)
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Mon, 26 Jun 2023 09:31:07 -0600 |
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[git/cctbx_project] master: Replace procrunner with subprocess (#892) (ca84390ca9)
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Sat, 24 Jun 2023 12:50:12 -0700 |
533 lines |
[git/cctbx_project] master: Preserve `expt.identifier` in diffBragg hopper (#891) (62a12d38a6)
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Fri, 23 Jun 2023 16:16:27 -0700 |
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[git/cctbx_project] master: Update README.md (9176d5f999)
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Fri, 23 Jun 2023 15:49:57 -0700 |
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[git/cctbx_project] master: tidy (2cd9e34992)
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Fri, 23 Jun 2023 10:40:48 -0700 |
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[git/cctbx_project] master: update for iterate metals (eaa3bdd936)
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Wed, 21 Jun 2023 17:22:13 -0700 |
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[git/cctbx_project] master: small mods to QI (984aaa57bc)
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Wed, 21 Jun 2023 14:53:21 -0700 |
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[git/cctbx_project] master: fixed a glyco alpha2-6 test (325eb23d95)
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Wed, 21 Jun 2023 13:36:21 -0700 |
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[git/cctbx_project] master: Z score option (c28cc8d04d)
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Wed, 21 Jun 2023 11:55:37 -0700 |
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[git/cctbx_project] master: new link notifications in mmCIF (3315dcfd48)
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Wed, 21 Jun 2023 11:51:55 -0700 |
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[git/cctbx_project] master: more specific glyco notes in mmCIF (1fb5e6850f)
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Wed, 21 Jun 2023 10:34:32 -0700 |
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[git/cctbx_project] master: update (13e9006564)
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Wed, 21 Jun 2023 10:34:32 -0700 |
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[git/cctbx_project] master: adjust min size of output (84cbdbb55f)
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Wed, 21 Jun 2023 10:34:32 -0700 |
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[git/cctbx_project] master: more general sugar linking (aa874fe08a)
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Wed, 21 Jun 2023 10:34:32 -0700 |
143 lines |
[git/cctbx_project] master: Change damped_shift to keep in step with phasertng version of dtmin. This is more stable when gradients could lead to excessively large shifts. (921303065b)
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Wed, 21 Jun 2023 14:00:41 +0100 |
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[git/cctbx_project] master: iotbx: reorder space group check in cif builder (409140eaee)
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Tue, 20 Jun 2023 09:06:14 -0700 |
126 lines |
[git/cctbx_project] master: Check for inconsistent symmetry information (see 6bbr where space group symbol is incompatible with symmetry operators. (5acbacd92f)
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Fri, 16 Jun 2023 16:22:18 -0700 |
481 lines |
[git/dxtbx] main: Remove dxtbx procrunner dependency (#640) (e7b27b4a)
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Fri, 16 Jun 2023 09:22:58 +0100 |
220 lines |
[git/cctbx_project] master: Bug fix: deal with case of no input nor new water (341d1fb94b)
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Thu, 15 Jun 2023 21:00:47 -0700 |
115 lines |
[git/cctbx_project] master: Fix for python 3 (12e0447dd7)
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Thu, 15 Jun 2023 20:01:27 -0700 |
96 lines |
[git/cctbx_project] master: work-around to use grid_step (9f6638769e)
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Thu, 15 Jun 2023 20:01:27 -0700 |
151 lines |
[git/cctbx_project] master: DataManager: set string default for help message (f7e1eedebb)
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Thu, 15 Jun 2023 12:17:16 -0700 |
130 lines |
[git/cctbx_project] master: Fix typo. (35b71fc6c9)
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Wed, 14 Jun 2023 16:47:06 -0700 |
87 lines |
[git/cctbx_project] master: DataManager: consolidate fmodel setup into base class (5210fe0e28)
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Wed, 14 Jun 2023 16:20:14 -0700 |
158 lines |
[git/cctbx_project] master: First test with long chain ids. (0c878892d1)
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Wed, 14 Jun 2023 16:00:52 -0700 |
1297 lines |
[git/cctbx_project] master: iotbx: clean up help message for R-free flags in reflection_file_server (994f041239)
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Wed, 14 Jun 2023 12:14:50 -0700 |
157 lines |
[git/cctbx_project] master: Convert residue id from hy36 when outputting mmCIF. (7a114e70a9)
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Tue, 13 Jun 2023 14:51:12 -0700 |
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[git/dxtbx] main: Bump version: 3.15.dev → 3.16.dev (700bb2e3)
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Tue, 13 Jun 2023 14:32:09 +0100 |
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[git/dxtbx] main: dxtbx 3.15.0 Changelog (d0871c70)
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Tue, 13 Jun 2023 14:32:09 +0100 |
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[git/dxtbx] tag 'v3.15.0' created
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Tue, 13 Jun 2023 14:32:09 +0100 |
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[git/dxtbx] main: MNT: Update CCTBX prebuilt version for CI (2bbcc86a)
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Tue, 13 Jun 2023 14:26:05 +0100 |
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[git/cctbx_project] master: allow use of numpy NAN instead of None (54f1ee4eb9)
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Mon, 12 Jun 2023 18:36:47 -0400 |
93 lines |
[git/dxtbx] main: Use orderedset.OrderedSet (#639) (e78fe37d)
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Mon, 12 Jun 2023 13:34:06 +0000 |
136 lines |
[git/dxtbx] main: FormatSMVRigakuSaturn: Recognise multi-axis crystal goniometers (#617) (ca47d2d9)
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Mon, 12 Jun 2023 08:56:09 +0000 |
285 lines |
[git/dxtbx] main: Handle no conda for system_includes (#630) (666288c0)
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Mon, 12 Jun 2023 09:29:21 +0100 |
114 lines |
[git/cctbx_project] master: Rotate axes for diffBragg anisotropic diffuse (#886) (d91990a48a)
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Fri, 9 Jun 2023 11:32:08 -0600 |
214 lines |
[git/cctbx_project] master: updates to the QI programs (e490c1be29)
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Mon, 5 Jun 2023 15:33:14 -0700 |
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[git/cctbx_project] master: updated modified amino acids (1ad2602162)
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Mon, 5 Jun 2023 15:33:14 -0700 |
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[git/cctbx_project] master: Turn off using experimental phases in MolProbity as they are not necessary and it conflicts with automatic twin detection (c666c4d696)
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Mon, 5 Jun 2023 06:55:50 -0600 |
156 lines |
[git/cctbx_project] master: Change output_level to level for consistency with phaser_voyager usage. (e849e5d21f)
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CCTBX commit |
Mon, 5 Jun 2023 11:29:41 +0100 |
166 lines |
[git/cctbx_project] master: Attempt to make test more stable by shortening query sequence. For some reason RCSB is not always finding whole lysozyme. (26381e1757)
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Fri, 2 Jun 2023 10:08:47 -0700 |
105 lines |
[git/dxtbx] main: Bruker general Photon format (#637) (842d4593)
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Fri, 2 Jun 2023 16:08:47 +0000 |
1433 lines |
[git/cctbx_project] master: DataManager: clean up x_ray versus neutron parameter settings (94d813234a)
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Thu, 1 Jun 2023 12:17:51 -0700 |
143 lines |
[git/cctbx_project] tag 'v2023.5' created
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Thu, 1 Jun 2023 09:30:36 -0700 |
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[git/cctbx_project] master: Update CHANGELOG.rst for 2023.5 release (ad1b1303c6)
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Thu, 1 Jun 2023 09:30:36 -0700 |
98 lines |