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[git/cctbx_project] master: DataManager: add function for writing MTZ files (4e4391ef4b)
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CCTBX commit |
Fri, 31 May 2019 15:14:49 -0700 |
277 lines |
[git/cctbx_project] master: Bugfix and better printout. (97e2e30866)
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CCTBX commit |
Fri, 31 May 2019 11:09:29 -0700 |
330 lines |
[git/cctbx_project] master: conda: move dependencies to backup channel (04c8c4fe5b)
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CCTBX commit |
Thu, 30 May 2019 23:32:48 -0700 |
100 lines |
[git/cctbx_project] master: Remove bare printing (2b5e107fcd)
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CCTBX commit |
Fri, 31 May 2019 12:49:29 +0800 |
114 lines |
[git/cctbx_project] master: fix invalid colours when colourdata has a nan value as first element. Towards consistent display of missing data (eaa2e4ff77)
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CCTBX commit |
Thu, 30 May 2019 18:01:35 +0100 |
685 lines |
[git/cctbx_project] master: improved error message (ef07775d70)
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CCTBX commit |
Thu, 30 May 2019 09:40:32 -0700 |
132 lines |
[git/cctbx_project] master: IOTA and PRIME GUI bugfixes and tweaks (91f6f086eb)
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Thu, 30 May 2019 09:36:41 -0700 |
800 lines |
[git/dxtbx] master: pacify flake8 (c7f0162)
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DXTBX commit |
Thu, 30 May 2019 07:53:57 +0100 |
114 lines |
[git/dxtbx] master: Fix format class hierarchy (1ee0d9c)
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Thu, 30 May 2019 07:53:57 +0100 |
118 lines |
[git/cctbx_project] master: ProgramTemplate: handle cases where the output PHIL scope may not exist (1a71792f7f)
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Wed, 29 May 2019 15:21:39 -0700 |
125 lines |
[git/dxtbx] master: Run flake8 only on pull requests (2ca91ad)
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DXTBX commit |
Wed, 29 May 2019 21:39:33 +0100 |
97 lines |
[git/dxtbx] master: Run flake8 tests during testing stage (933a521)
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Wed, 29 May 2019 21:35:29 +0100 |
161 lines |
[git/dxtbx] master: Fix DeprecationWarnings caused by dxtbx.ext move (f007bbc)
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Wed, 29 May 2019 19:51:45 +0100 |
498 lines |
[git/dxtbx] master: Fix test (b42f70b)
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DXTBX commit |
Wed, 29 May 2019 19:41:47 +0100 |
93 lines |
[git/cctbx_project] master: Fixes for ignoring NaN values when generating colour and radii data. GUI changes (b6d0539e86)
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Wed, 29 May 2019 18:35:28 +0100 |
1285 lines |
[git/dxtbx] master: Move dxtbx extensions from dxtbx.* to dxtbx.ext.* (a6773c6)
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Wed, 29 May 2019 14:41:26 +0100 |
195 lines |
[git/dxtbx] master: Invert FPE defaults for dxtbx (#28) (558119d)
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DXTBX commit |
Wed, 29 May 2019 13:08:01 +0100 |
131 lines |
[git/cctbx_project] master: gui bugfixes (d3c82f9b45)
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CCTBX commit |
Tue, 28 May 2019 18:30:44 -0700 |
930 lines |
[git/cctbx_project] master: not importing numpy (dc4ad9b03e)
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CCTBX commit |
Tue, 28 May 2019 20:31:50 +0100 |
95 lines |
[git/cctbx_project] master: Don't compute min max values of arrays with nan values. Refactoring code to avoid excessive rebuilding of scenes and matching of miller arrays (cc717c4714)
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CCTBX commit |
Tue, 28 May 2019 17:28:21 +0100 |
1081 lines |
[git/dxtbx] master: Rename serialize.load_path to resolve_path (#23) (2a9714d)
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DXTBX commit |
Tue, 28 May 2019 11:44:17 +0100 |
1115 lines |
[git/dxtbx] master: Clean clutter (043d9a1)
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DXTBX commit |
Sun, 26 May 2019 05:10:26 +0100 |
127 lines |
[git/cctbx_project] master: Deactivate hbond vs clash for now. (2e04c08ae)
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Fri, 24 May 2019 17:18:29 -0700 |
93 lines |
[git/cctbx_project] master: Bugfix (8c8603f5f)
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Fri, 24 May 2019 15:20:27 -0700 |
129 lines |
[git/cctbx_project] master: Hbonds: show method, cut-off values, cleanup. (4d058d31d)
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Fri, 24 May 2019 15:08:38 -0700 |
807 lines |
[git/dxtbx] master: Enable precommitbx nagging (099d878)
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DXTBX commit |
Fri, 24 May 2019 21:57:53 +0100 |
90 lines |
[git/cctbx_project] master: Process nonbonded proxies: stub for Hbonds class (d66038eaa)
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Fri, 24 May 2019 13:21:50 -0700 |
411 lines |
[git/cctbx_project] master: CCTBXParser: bug fix for constructing working_phil (c916ba716)
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CCTBX commit |
Fri, 24 May 2019 12:51:22 -0700 |
89 lines |
[git/cctbx_project] master: gui changes (aba929b4c)
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CCTBX commit |
Fri, 24 May 2019 19:22:14 +0100 |
587 lines |
[git/cctbx_project] master: switched cbetadev to use program template (b940da5e6)
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Thu, 23 May 2019 15:14:34 -0400 |
385 lines |
[git/cctbx_project] master: switched clashscore to use program template (0b402ba93)
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Thu, 23 May 2019 15:14:34 -0400 |
597 lines |
[git/cctbx_project] master: switched rotalyze to use program template (bc5c8598b)
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Thu, 23 May 2019 15:14:34 -0400 |
422 lines |
[git/cctbx_project] master: switched cablam to using program template, fixed filename printing in oneline (84a0aca1c)
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Thu, 23 May 2019 15:14:34 -0400 |
877 lines |
[git/cctbx_project] master: Reorder intensity statistics to odd, even, all. (3de3d86df)
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Thu, 23 May 2019 11:45:10 -0700 |
142 lines |
[git/cctbx_project] master: Disable intensity histogram calculations, improve comments. (d4b777ee6)
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Thu, 23 May 2019 11:18:55 -0700 |
658 lines |
[git/cctbx_project] master: further gui changes (92d84e5ec)
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Thu, 23 May 2019 17:55:56 +0100 |
943 lines |
[git/cctbx_project] master: spellcheck (5ec60685b)
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CCTBX commit |
Thu, 23 May 2019 09:42:04 +0100 |
99 lines |
[git/cctbx_project] master: Remove imports (90c04d77c)
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Wed, 22 May 2019 21:42:03 -0700 |
118 lines |
[git/cctbx_project] master: NBO: check for monomer library. (8c96ab67d)
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Wed, 22 May 2019 21:38:30 -0700 |
127 lines |
[git/cctbx_project] master: Ligand validation: use new clashes class. Cleanup. (679086e6a)
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Wed, 22 May 2019 20:47:45 -0700 |
812 lines |
[git/cctbx_project] master: fixing some phil logic (61d1df1d9)
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CCTBX commit |
Wed, 22 May 2019 17:38:13 +0100 |
623 lines |
[git/dxtbx] master: Use struct not numpy to unpack the bytestring. (#2) (19f630c)
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Wed, 22 May 2019 12:13:42 +0100 |
195 lines |
Jenkins 5a cctbx Tests build 8381 Fixed
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DLS Jenkins |
Wed, 22 May 2019 11:01:31 +0100 |
42 lines |
[git/cctbx_project] master: Skip test if monomer library not present (2b19fb7b5)
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CCTBX commit |
Wed, 22 May 2019 10:53:00 +0100 |
132 lines |
[git/cctbx_project] master: Reactivate flex. Dont trust findimports... (54516c0a7)
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Tue, 21 May 2019 23:29:35 -0700 |
87 lines |
[git/cctbx_project] master: Ligand validation: adapt clashes code. Cleanup. Make test. (f5a6dda8d)
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CCTBX commit |
Tue, 21 May 2019 23:16:10 -0700 |
1220 lines |
[git/cctbx_project] master: Output more detailed intensity statistics, create new worker for output (09cb987a7)
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CCTBX commit |
Tue, 21 May 2019 17:26:31 -0700 |
1137 lines |
Jenkins 5a cctbx Tests build 8377 Unstable
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DLS Jenkins |
Wed, 22 May 2019 00:05:40 +0100 |
52 lines |
[git/cctbx_project] master: NBO: Remove unnecessary check. Activate test. (3859d4053)
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Tue, 21 May 2019 15:05:56 -0700 |
183 lines |
[git/cctbx_project] master: Output more detailed intensity statistics, create new worker for output, use os.path.join instead of '/'. (6bca89413)
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CCTBX commit |
Tue, 21 May 2019 12:16:10 -0700 |
408 lines |
[git/cctbx_project] master: incremental gui development (cd3c9820b)
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CCTBX commit |
Tue, 21 May 2019 17:31:58 +0100 |
1193 lines |
[git/dxtbx] master: overload Crystal.set_unit_cell() to accept an actual unit_cell object (88b23ec)
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DXTBX commit |
Tue, 21 May 2019 13:28:08 +0100 |
235 lines |
[git/dxtbx] master: split up test (4ee5585)
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Tue, 21 May 2019 13:28:08 +0100 |
87 lines |
[git/cctbx_project] master: getting rid of unused imports, bare excepts (835b8053a)
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Mon, 20 May 2019 22:51:21 +0100 |
178 lines |
[git/cctbx_project] master: some more bugfixes (97f558692)
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Mon, 20 May 2019 14:26:55 -0700 |
219 lines |
[git/cctbx_project] master: NBO: sort_clashes method, is_clashing method. Plus tests. (74c9d8edc)
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Mon, 20 May 2019 12:39:04 -0700 |
633 lines |
[git/cctbx_project] master: Added NGL_HKLviewerGui.py (639c79ac0)
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Mon, 20 May 2019 19:11:55 +0100 |
1005 lines |
[git/cctbx_project] master: yet even more changes towards a gui (34d260c2f)
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Mon, 20 May 2019 19:09:39 +0100 |
385 lines |
[git/cctbx_project] master: Missing headers hint for macOS >= 10.14 (#240, #333) (d6f0f744b)
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CCTBX commit |
Mon, 20 May 2019 09:31:13 +0100 |
99 lines |
[git/cctbx_project] master: always build wxpython4 on macOS >= 10.14 (#240, #333) (e9d68f7d6)
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Mon, 20 May 2019 09:31:13 +0100 |
113 lines |
[git/cctbx_project] master: NBO: cleanup and docstrings. (6567ccec3)
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CCTBX commit |
Sat, 18 May 2019 23:24:01 -0700 |
407 lines |
[git/cctbx_project] master: NBOs: refactor tests (5114803a8)
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CCTBX commit |
Sat, 18 May 2019 23:00:41 -0700 |
1629 lines |
[git/cctbx_project] master: NBO: refactor tests. (0cd11e38a)
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Sat, 18 May 2019 17:45:21 -0700 |
463 lines |
[git/cctbx_project] master: NBO: break up results in sym related and macro_mol overlaps. (4100e16aa)
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Sat, 18 May 2019 14:12:53 -0700 |
1101 lines |
[git/cctbx_project] master: NBO: refactoring, transfer test. (fa8ed2966)
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CCTBX commit |
Sat, 18 May 2019 13:13:48 -0700 |
1409 lines |
[git/cctbx_project] master: more plotting bugfixes (036ad1652)
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CCTBX commit |
Fri, 17 May 2019 16:59:26 -0700 |
2021 lines |
[git/cctbx_project] master: NBO: transfer test. (b95f4c4e5)
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CCTBX commit |
Fri, 17 May 2019 15:29:58 -0700 |
506 lines |
[git/cctbx_project] master: NBO: Move clashes loop to function. Better docstring. (dd4d4674c)
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Fri, 17 May 2019 11:20:03 -0700 |
506 lines |
[git/cctbx_project] master: even more changes towards a gui (da8d4d767)
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CCTBX commit |
Fri, 17 May 2019 18:59:17 +0100 |
527 lines |
[git/dxtbx] master: Revert unicode cbf changes. (dbe6803)
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DXTBX commit |
Fri, 17 May 2019 09:27:34 -0700 |
183 lines |
Jenkins 5a cctbx Tests build 8352 Fixed
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DLS Jenkins |
Fri, 17 May 2019 16:28:00 +0100 |
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[git/dxtbx] master: Horrible hack (ebe7369)
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DXTBX commit |
Fri, 17 May 2019 16:19:26 +0100 |
106 lines |
Jenkins 5a cctbx Tests build 8351 Unstable
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DLS Jenkins |
Fri, 17 May 2019 15:54:20 +0100 |
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[git/dxtbx] master: Reverse definitions of detector size (f0f3e1e)
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DXTBX commit |
Fri, 17 May 2019 15:40:32 +0100 |
140 lines |
[git/dxtbx] master: Make error message slightly more useful (dca41d4)
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DXTBX commit |
Fri, 17 May 2019 12:03:30 +0100 |
130 lines |
[git/cctbx_project] master: NBO: refactor the class (5f13bf983)
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CCTBX commit |
Thu, 16 May 2019 22:45:51 -0700 |
1125 lines |
[git/cctbx_project] master: plotting bugfixes (dc3720bf2)
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CCTBX commit |
Thu, 16 May 2019 18:01:10 -0700 |
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[git/dxtbx] master: Py2/3 more Unicode -> bytes in cbf land (0f31f2b)
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DXTBX commit |
Thu, 16 May 2019 16:36:30 -0700 |
1572 lines |
[git/cctbx_project] master: strange reason for test failure (83c4cabd2)
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CCTBX commit |
Thu, 16 May 2019 16:15:46 -0700 |
101 lines |
Jenkins 5a cctbx Tests build 8346 Fixed
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DLS Jenkins |
Fri, 17 May 2019 00:09:16 +0100 |
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[git/dxtbx] master: Back out one of the unicode changes to make the tests pass again. (29943ce)
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DXTBX commit |
Thu, 16 May 2019 15:56:38 -0700 |
91 lines |
Jenkins 5a cctbx Tests build 8345 Unstable
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DLS Jenkins |
Thu, 16 May 2019 23:41:28 +0100 |
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[git/cctbx_project] master: corrected logic (cabb46b75)
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CCTBX commit |
Thu, 16 May 2019 15:32:02 -0700 |
92 lines |
[git/dxtbx] master: Py 2/3: handle strings in cbflib (5e69ff6)
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DXTBX commit |
Thu, 16 May 2019 15:29:24 -0700 |
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[git/cctbx_project] master: needed to work with non-loop restraints (ef6265d77)
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CCTBX commit |
Thu, 16 May 2019 15:19:29 -0700 |
87 lines |
[git/cctbx_project] master: stub for more detailed metal coordination filtering (27413a55e)
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CCTBX commit |
Thu, 16 May 2019 15:19:29 -0700 |
140 lines |
[git/dxtbx] master: refactoring: avoid 'unicode', simplify code (2547fbb)
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DXTBX commit |
Thu, 16 May 2019 22:57:52 +0100 |
168 lines |
[git/dxtbx] master: Py2/3 metaclass (e987b8a)
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DXTBX commit |
Thu, 16 May 2019 10:39:25 -0700 |
133 lines |
[git/cctbx_project] master: more changes towards a gui (9cc60a331)
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CCTBX commit |
Thu, 16 May 2019 18:17:38 +0100 |
973 lines |
[git/dxtbx] master: File refactoring (f1a5e55)
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DXTBX commit |
Thu, 16 May 2019 16:31:25 +0100 |
1630 lines |
[git/dxtbx] master: map not subscriptable (c28cc4a)
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DXTBX commit |
Thu, 16 May 2019 16:08:46 +0100 |
88 lines |
[git/dxtbx] master: clean clutter (139877c)
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DXTBX commit |
Thu, 16 May 2019 16:05:03 +0100 |
180 lines |
[git/dxtbx] master: forward compatibility (510921d)
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Thu, 16 May 2019 11:00:54 +0100 |
168 lines |
[git/cctbx_project] master: NBO: stub for new class. (e26864c29)
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CCTBX commit |
Wed, 15 May 2019 22:34:41 -0700 |
348 lines |
[git/cctbx_project] master: Update test for sequence cif, stop _struct_ref_seq checks until cif output is reworked (c6852e7b9)
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CCTBX commit |
Wed, 15 May 2019 16:13:20 -0700 |
328 lines |
[git/cctbx_project] master: NBO: refactor tests to use model class. (5568470ad)
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CCTBX commit |
Wed, 15 May 2019 12:33:45 -0700 |
640 lines |
[git/cctbx_project] master: Towards making sockets between NGLHKLviewerGui.py and cmdlinesframe.py (63de2e2f3)
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CCTBX commit |
Wed, 15 May 2019 18:07:47 +0100 |
368 lines |
[git/dxtbx] master: Reject commits w/ merge conflicts or large files (db23201)
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DXTBX commit |
Wed, 15 May 2019 11:58:05 +0100 |
83 lines |
[git/cctbx_project] master: NBOs: No need for filenames in phil scope. (6229b6049)
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CCTBX commit |
Tue, 14 May 2019 17:19:48 -0700 |
204 lines |
[git/cctbx_project] master: Nonbonded overlaps: better phil parameter names and clean up of unused parameters. (57ea1f69b)
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CCTBX commit |
Tue, 14 May 2019 16:04:22 -0700 |
439 lines |
[git/cctbx_project] master: Use import flex (6069c0e31)
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CCTBX commit |
Tue, 14 May 2019 14:31:06 -0700 |
86 lines |
[git/cctbx_project] master: Nonbonded overlaps: use model class, adapt tests, command line tool can read cif files. (a25541080)
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CCTBX commit |
Tue, 14 May 2019 14:04:47 -0700 |
1745 lines |
[git/cctbx_project] master: un-cluttering (6ad3b0cd3)
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CCTBX commit |
Tue, 14 May 2019 20:34:39 +0100 |
81 lines |
[git/cctbx_project] master: Allowing phil input exclusively for controlling the viewer (09bf6336a)
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CCTBX commit |
Tue, 14 May 2019 18:07:22 +0100 |
726 lines |
[git/cctbx_project] master: update repository location (6e9db339f)
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CCTBX commit |
Tue, 14 May 2019 10:45:25 +0100 |
88 lines |
[git/cctbx_project] master: un-cluttering (d9e7c78cc)
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CCTBX commit |
Mon, 13 May 2019 21:38:58 +0100 |
82 lines |
[git/cctbx_project] master: Refactor nonbonded_overlaps: use program template. (91181a149)
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CCTBX commit |
Mon, 13 May 2019 13:02:27 -0700 |
1587 lines |
[git/cctbx_project] master: Towards allowing phil input exclusively for controlling the viewer (29f2d288c)
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CCTBX commit |
Mon, 13 May 2019 18:10:08 +0100 |
603 lines |
[git/dxtbx] master: cleanup (c6b2624)
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DXTBX commit |
Mon, 13 May 2019 08:00:41 +0100 |
109 lines |
[git/cctbx_project] master: conda: change channels for py36 to be the same as py27 (6af789668)
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CCTBX commit |
Sun, 12 May 2019 22:53:04 -0700 |
160 lines |
[git/cctbx_project] master: configure: use installed scons, if available (71f4b84d7)
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CCTBX commit |
Sun, 12 May 2019 20:08:16 -0700 |
106 lines |
[git/cctbx_project] master: conda: only set dispatcher environment variables when needed (23f2e1d25)
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CCTBX commit |
Sun, 12 May 2019 19:26:35 -0700 |
162 lines |
[git/cctbx_project] master: Fix tls test on Windows (b56d5d9c8)
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CCTBX commit |
Fri, 10 May 2019 15:10:39 -0700 |
91 lines |
[git/cctbx_project] master: Avoid OSError when cctbx.python is run with uwsgi (9f48c8837)
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CCTBX commit |
Fri, 10 May 2019 13:09:31 -0700 |
93 lines |
[git/cctbx_project] master: Make workers able to be ran standalone (abec745b8)
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CCTBX commit |
Fri, 10 May 2019 08:47:05 -0700 |
453 lines |
[git/cctbx_project] master: Update boilerplate to save results (98a8762a1)
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CCTBX commit |
Fri, 10 May 2019 08:36:51 -0700 |
109 lines |
[git/dxtbx] master: Revert FormatSMVJHSim (692baf7)
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DXTBX commit |
Fri, 10 May 2019 09:39:45 +0100 |
117 lines |
[git/dxtbx] master: Raise a Sorry when invalid image passed (56d9601)
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DXTBX commit |
Fri, 10 May 2019 04:27:02 +0100 |
281 lines |
[git/cctbx_project] master: Add mtz output (c1bc1e3b9)
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CCTBX commit |
Thu, 9 May 2019 11:07:59 -0700 |
310 lines |
[git/cctbx_project] master: Handle mpack (384ace794)
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CCTBX commit |
Thu, 9 May 2019 08:50:58 -0700 |
110 lines |
[git/cctbx_project] master: Fix longstanding bug with counting total number of lattices (ec3e4680c)
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CCTBX commit |
Thu, 9 May 2019 08:46:41 +0900 |
99 lines |
[git/cctbx_project] master: Bug fix for standalone GUI logging directories with lots of files instead of composite files (7a5a82607)
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CCTBX commit |
Thu, 9 May 2019 07:01:58 +0900 |
285 lines |
[git/cctbx_project] master: Use the center of mass (com) for the centroid definition for small cell. (ffe84f12a)
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CCTBX commit |
Thu, 9 May 2019 05:24:44 +0900 |
175 lines |
[git/cctbx_project] master: Sort runs for run stats standalone (879d0cf25)
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CCTBX commit |
Wed, 8 May 2019 11:32:55 -0700 |
92 lines |
[git/cctbx_project] master: Resize main window to fit screen on application start if display size is too small (eeed4dc7c)
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CCTBX commit |
Thu, 9 May 2019 02:09:39 +0900 |
97 lines |
[git/cctbx_project] master: Bugfixes for small cell processing using standalone GUI (4d232bbca)
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CCTBX commit |
Thu, 9 May 2019 02:09:39 +0900 |
154 lines |
[git/dxtbx] master: Consistent trusted_range for FormatSMVADSC etc. (5e6cbae)
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DXTBX commit |
Wed, 8 May 2019 13:56:01 +0100 |
673 lines |
[git/cctbx] master: bug fixes (57581855f)
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CCTBX commit |
Tue, 7 May 2019 19:05:39 +0100 |
269 lines |
[git/cctbx] master: conda: use warning instead of error (d83b77c69)
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CCTBX commit |
Mon, 6 May 2019 19:17:52 -0700 |
97 lines |
[git/cctbx] master: Parameters to fine-tune hbond angle sigmas. (c14114868)
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CCTBX commit |
Mon, 6 May 2019 17:30:56 -0700 |
392 lines |
[git/cctbx] master: Better NCS groups filtering. (0d61d621b)
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CCTBX commit |
Mon, 6 May 2019 13:27:57 -0700 |
168 lines |
[git/cctbx] master: Make sure gridding last is >= gridding first; set solvent fraction if not set, shift pdb_inp in segment_and_split_map (49251518a)
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CCTBX commit |
Mon, 6 May 2019 10:42:55 -0700 |
214 lines |
[git/cctbx] master: removed unused imports that I am actually using (ae48defa0)
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CCTBX commit |
Sun, 5 May 2019 09:13:32 -0700 |
101 lines |
[git/cctbx] master: added new test for mosaic spread functionality (334d037e8)
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CCTBX commit |
Sun, 5 May 2019 08:44:26 -0700 |
344 lines |
[git/cctbx] master: fix mosaic domain initialization bug hopefully without breaking Sauter features (884b735a7)
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CCTBX commit |
Sun, 5 May 2019 08:44:26 -0700 |
271 lines |
[git/cctbx] master: fixing test. Order of setting variables matters in simtbx. whenever mosaic_spread_deg = 0 the mosaic_domains is automatically set to 1 (cc88a9b2b)
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CCTBX commit |
Sun, 5 May 2019 08:44:26 -0700 |
96 lines |
[git/cctbx] master: multiple fixes in nonsense space (d5997e85f)
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CCTBX commit |
Sun, 5 May 2019 22:45:14 +0800 |
987 lines |
[git/dxtbx] master: Clean clutter (52bb9cb)
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DXTBX commit |
Sun, 5 May 2019 05:10:21 +0100 |
119 lines |
[git/cctbx] master: DataManager: add default output filenames (ba89fd229)
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CCTBX commit |
Sat, 4 May 2019 20:11:14 -0700 |
397 lines |
[git/cctbx] master: DataManager: update default filename functions (85f78d0ee)
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CCTBX commit |
Sat, 4 May 2019 19:18:54 -0700 |
617 lines |
[git/cctbx] master: ProgramTemplate: handle case where DataManager is None (76c486f1f)
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CCTBX commit |
Sat, 4 May 2019 17:59:37 -0700 |
113 lines |
[git/cctbx] master: DataManager: add default output filename and overwrite options (d87000681)
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CCTBX commit |
Sat, 4 May 2019 17:44:13 -0700 |
1013 lines |
[git/cctbx] master: mmtbx: fix extension name (19a1b2104)
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CCTBX commit |
Sat, 4 May 2019 17:28:30 -0700 |
82 lines |
[git/cctbx] master: Remove accidental commit of tmp files (4b35afc56)
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CCTBX commit |
Sat, 4 May 2019 19:20:50 +0800 |
580 lines |
[git/cctbx] master: Find H bond code from Wensong. Needs more testing and optimization. (7d1634ae9)
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CCTBX commit |
Sat, 4 May 2019 19:19:55 +0800 |
1861 lines |
[git/cctbx] master: sequence_cif: update tests to use model class (a5833139f)
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CCTBX commit |
Fri, 3 May 2019 17:12:27 -0700 |
584 lines |
[git/cctbx] master: sequence_cif: add all residues to _entity_poly_seq.mon_id (6795b490f)
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CCTBX commit |
Fri, 3 May 2019 17:11:48 -0700 |
89 lines |
[git/cctbx] master: Reapply f83b17271c30e8a7aefc59cb6dc09e6e1b78d51d to new location (1e37191b7)
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CCTBX commit |
Fri, 3 May 2019 14:41:55 -0700 |
125 lines |
[git/cctbx] master: Move mmCIF output of sequence loops (85158210b)
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CCTBX commit |
Fri, 3 May 2019 14:41:55 -0700 |
3158 lines |
[git/cctbx] master: mmtbx.prepare_pdb_deposition: always construct geometry restraints manager (548c8633b)
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CCTBX commit |
Fri, 3 May 2019 14:41:55 -0700 |
93 lines |
[git/cctbx] master: mmtbx.prepare_pdb_depostion: add PDB interpretation parameters for restraints and links (76a05b4da)
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CCTBX commit |
Fri, 3 May 2019 14:41:55 -0700 |
118 lines |
[git/cctbx] master: DataManager: unset stop_for_uknowns, no longer needed (bf8c7d7be)
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CCTBX commit |
Fri, 3 May 2019 14:41:55 -0700 |
84 lines |
[git/cctbx] master: Add restraints to mmCIF output from mmtbx.prepare_pdb_deposition (d9861bed3)
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CCTBX commit |
Fri, 3 May 2019 14:41:55 -0700 |
110 lines |
[git/cctbx] master: Comparama: more arrows, more color control. (20be6745a)
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CCTBX commit |
Fri, 3 May 2019 14:34:17 -0700 |
249 lines |
[git/cctbx] master: LV: Stub for CCs. (6e2a1d2e3)
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CCTBX commit |
Fri, 3 May 2019 10:44:29 -0700 |
849 lines |
[git/cctbx] master: Automatic scaling of radii to ensure smallest radius is 0.25*largest radius (c5ca1309c)
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CCTBX commit |
Fri, 3 May 2019 17:56:44 +0100 |
282 lines |
[git/cctbx] master: Return NaN if NaN submitted to roundoff() rather than crashing on Python3 (471dcb25d)
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CCTBX commit |
Fri, 3 May 2019 14:26:01 +0100 |
84 lines |
[git/dxtbx] master: enable proper pre-commits for dxtbx (b47ddc2)
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DXTBX commit |
Fri, 3 May 2019 12:39:55 +0100 |
143 lines |
[git/cctbx] master: Add get_sites_frac method (1c6e68e97)
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CCTBX commit |
Fri, 3 May 2019 15:48:44 +0800 |
84 lines |
[git/cctbx] master: Tool to find reserved names (334ca5589)
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CCTBX commit |
Fri, 3 May 2019 07:42:18 +0100 |
154 lines |
[git/cctbx] master: Add delay before loading file for update (0c9f39f9d)
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CCTBX commit |
Thu, 2 May 2019 22:34:08 -0700 |
84 lines |
[git/cctbx] master: Update README.md (1b6a0061a)
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CCTBX commit |
Thu, 2 May 2019 15:39:24 -0700 |
136 lines |
[git/cctbx] master: Bug fix for unknown miller array type FOM label formatting on colour gradient chart (130a6cd07)
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CCTBX commit |
Thu, 2 May 2019 18:07:26 +0100 |
548 lines |
[git/cctbx] master: Partially Revert "Merge pull request #317 from msgpack_as_default" (57ca8299e)
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CCTBX commit |
Thu, 2 May 2019 09:37:10 -0700 |
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[git/cctbx] master: Clean clutter (59ba24436)
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CCTBX commit |
Thu, 2 May 2019 09:28:25 -0700 |
85 lines |
[git/dxtbx] master: Combine all __future__ imports into one statement (8094491)
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DXTBX commit |
Thu, 2 May 2019 15:06:24 +0100 |
112 lines |
[git/cctbx] master: Sort chains on resno and chain ID (bf61dbc6d)
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CCTBX commit |
Thu, 2 May 2019 08:01:58 -0600 |
288 lines |
[git/cctbx] master: fix typo (5700dc6db)
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CCTBX commit |
Thu, 2 May 2019 05:45:59 -0700 |
88 lines |
[git/cctbx] master: fix missing set of chain ID (7293edca6)
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CCTBX commit |
Thu, 2 May 2019 05:03:49 -0700 |
116 lines |
[git/cctbx] master: Merge #316: Implement parts of mmtbx.TLS in C++ (2de01b24c)
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CCTBX commit |
Thu, 2 May 2019 11:49:07 +0100 |
171 lines |
[git/cctbx] master: change pytest tests into libtbx tests. register in mmtbx.run_tests. (eee7382aa)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
81 lines |
[git/cctbx] master: remove unused imports. add from __future__ import division. remove unused functions. fix typo in tests. (347e21b43)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
340 lines |
[git/cctbx] master: c++ implementation of convenience classes for manipulating TLS matrices and extracting Us. allows multi-dataset usage of TLS matrices. includes boost::python wrapper (mmtbx/tls/utils.py). includes associated tests in pytest. (b2331ec66)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
89 lines |
[git/cctbx] master: clean clutter (trailing whitespace) (ce4e7d3b0)
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Wed, 1 May 2019 23:02:07 -0700 |
73 lines |
[git/cctbx] master: add missing assert statements in tests (f9070af05)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
127 lines |
[git/cctbx] master: Initialise member data in constructors rather than header files. Move function definitions to serparate cpp files rather than defining in header. Remove unnecessary includes. (3d8509456)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
103 lines |
[git/cctbx] master: convert 4-space indents to 2-space indents. (d60159532)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
108 lines |
[git/cctbx] master: c++ implementation of decomposition of TLS matrices into physical motions (Urzhumtsev 2016; mmtbx/tls/analysis.py) with boost::python wrapper. incorporate c++ implementation of decomposition into mmtbx/tls/analysis.py. add to tests, checking against python implementation. (9c9ff218f)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
95 lines |
[git/cctbx] master: add pytest discovery to mmtbx/run_tests.py (bec02c711)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
95 lines |
[git/cctbx] master: fix typo in mmtbx/tls/analysis.py (8cc18a3ab)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
86 lines |
[git/cctbx] master: python class with c++ optimiser for fitting an arbitrary combination of (tls) modes against refined Us from multiple datasets. includes boost::python wrapper and pytest tests. (8c3dcf438)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
86 lines |
[git/cctbx] master: refactor mmtbx/tls/optimise_amplitudes (b84037627)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
778 lines |
[git/cctbx] master: rename tests in mmtbx to follow libtbx convention (current naming is picked up by pytest discovery, with these tests being incompatible with pytest, causing subsquent failures). change documentation and import statements involving these test modules to compensate. (a53bb2af4)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
114 lines |
[git/cctbx] master: changes for windows compatibility. change and/or to &&/||. (8bf8e6fa2)
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CCTBX commit |
Wed, 1 May 2019 23:02:07 -0700 |
586 lines |
[git/cctbx] master: Skip chain_type in extract_unique_part_of_hierarchy because it could be mixed (8365b54ca)
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CCTBX commit |
Wed, 1 May 2019 18:52:34 -0700 |
154 lines |
[git/cctbx] master: Remove unused import (98e178ce7)
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CCTBX commit |
Wed, 1 May 2019 18:29:54 -0600 |
84 lines |
[git/cctbx] master: allow optimization of molecule in extracting ncs au (961055df3)
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CCTBX commit |
Wed, 1 May 2019 17:02:06 -0600 |
382 lines |
[git/cctbx] master: Clean clutter Print label of displayed miller array (ab1a63497)
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CCTBX commit |
Wed, 1 May 2019 19:25:33 +0100 |
817 lines |
[git/cctbx] master: Bug fix: filter out noise (25738dc4a)
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CCTBX commit |
Wed, 1 May 2019 20:20:07 +0800 |
121 lines |
[git/cctbx] master: Avoid setting vdw radius to None in rare cases of unknown atom types (9839e81ba)
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CCTBX commit |
Wed, 1 May 2019 09:57:45 +0800 |
127 lines |
[git/cctbx] master: added ReadMe (4fefcb2aa)
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CCTBX commit |
Tue, 30 Apr 2019 23:24:29 +0100 |
309 lines |