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May 2019


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Date Sorted by Date, Most Recent First

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[git/cctbx_project] master: DataManager: add function for writing MTZ files (4e4391ef4b)

CCTBX commit

Fri, 31 May 2019 15:14:49 -0700

277 lines

[git/cctbx_project] master: Bugfix and better printout. (97e2e30866)

CCTBX commit

Fri, 31 May 2019 11:09:29 -0700

330 lines

[git/cctbx_project] master: conda: move dependencies to backup channel (04c8c4fe5b)

CCTBX commit

Thu, 30 May 2019 23:32:48 -0700

100 lines

[git/cctbx_project] master: Remove bare printing (2b5e107fcd)

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)

CCTBX commit

Thu, 30 May 2019 18:01:35 +0100

685 lines

[git/cctbx_project] master: improved error message (ef07775d70)

CCTBX commit

Thu, 30 May 2019 09:40:32 -0700

132 lines

[git/cctbx_project] master: IOTA and PRIME GUI bugfixes and tweaks (91f6f086eb)

CCTBX commit

Thu, 30 May 2019 09:36:41 -0700

800 lines

[git/dxtbx] master: pacify flake8 (c7f0162)

DXTBX commit

Thu, 30 May 2019 07:53:57 +0100

114 lines

[git/dxtbx] master: Fix format class hierarchy (1ee0d9c)

DXTBX commit

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)

CCTBX commit

Wed, 29 May 2019 15:21:39 -0700

125 lines

[git/dxtbx] master: Run flake8 only on pull requests (2ca91ad)

DXTBX commit

Wed, 29 May 2019 21:39:33 +0100

97 lines

[git/dxtbx] master: Run flake8 tests during testing stage (933a521)

DXTBX commit

Wed, 29 May 2019 21:35:29 +0100

161 lines

[git/dxtbx] master: Fix DeprecationWarnings caused by dxtbx.ext move (f007bbc)

DXTBX commit

Wed, 29 May 2019 19:51:45 +0100

498 lines

[git/dxtbx] master: Fix test (b42f70b)

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)

CCTBX commit

Wed, 29 May 2019 18:35:28 +0100

1285 lines

[git/dxtbx] master: Move dxtbx extensions from dxtbx.* to dxtbx.ext.* (a6773c6)

DXTBX commit

Wed, 29 May 2019 14:41:26 +0100

195 lines

[git/dxtbx] master: Invert FPE defaults for dxtbx (#28) (558119d)

DXTBX commit

Wed, 29 May 2019 13:08:01 +0100

131 lines

[git/cctbx_project] master: gui bugfixes (d3c82f9b45)

CCTBX commit

Tue, 28 May 2019 18:30:44 -0700

930 lines

[git/cctbx_project] master: not importing numpy (dc4ad9b03e)

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)

CCTBX commit

Tue, 28 May 2019 17:28:21 +0100

1081 lines

[git/dxtbx] master: Rename serialize.load_path to resolve_path (#23) (2a9714d)

DXTBX commit

Tue, 28 May 2019 11:44:17 +0100

1115 lines

[git/dxtbx] master: Clean clutter (043d9a1)

DXTBX commit

Sun, 26 May 2019 05:10:26 +0100

127 lines

[git/cctbx_project] master: Deactivate hbond vs clash for now. (2e04c08ae)

CCTBX commit

Fri, 24 May 2019 17:18:29 -0700

93 lines

[git/cctbx_project] master: Bugfix (8c8603f5f)

CCTBX commit

Fri, 24 May 2019 15:20:27 -0700

129 lines

[git/cctbx_project] master: Hbonds: show method, cut-off values, cleanup. (4d058d31d)

CCTBX commit

Fri, 24 May 2019 15:08:38 -0700

807 lines

[git/dxtbx] master: Enable precommitbx nagging (099d878)

DXTBX commit

Fri, 24 May 2019 21:57:53 +0100

90 lines

[git/cctbx_project] master: Process nonbonded proxies: stub for Hbonds class (d66038eaa)

CCTBX commit

Fri, 24 May 2019 13:21:50 -0700

411 lines

[git/cctbx_project] master: CCTBXParser: bug fix for constructing working_phil (c916ba716)

CCTBX commit

Fri, 24 May 2019 12:51:22 -0700

89 lines

[git/cctbx_project] master: gui changes (aba929b4c)

CCTBX commit

Fri, 24 May 2019 19:22:14 +0100

587 lines

[git/cctbx_project] master: switched cbetadev to use program template (b940da5e6)

CCTBX commit

Thu, 23 May 2019 15:14:34 -0400

385 lines

[git/cctbx_project] master: switched clashscore to use program template (0b402ba93)

CCTBX commit

Thu, 23 May 2019 15:14:34 -0400

597 lines

[git/cctbx_project] master: switched rotalyze to use program template (bc5c8598b)

CCTBX commit

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)

CCTBX commit

Thu, 23 May 2019 15:14:34 -0400

877 lines

[git/cctbx_project] master: Reorder intensity statistics to odd, even, all. (3de3d86df)

CCTBX commit

Thu, 23 May 2019 11:45:10 -0700

142 lines

[git/cctbx_project] master: Disable intensity histogram calculations, improve comments. (d4b777ee6)

CCTBX commit

Thu, 23 May 2019 11:18:55 -0700

658 lines

[git/cctbx_project] master: further gui changes (92d84e5ec)

CCTBX commit

Thu, 23 May 2019 17:55:56 +0100

943 lines

[git/cctbx_project] master: spellcheck (5ec60685b)

CCTBX commit

Thu, 23 May 2019 09:42:04 +0100

99 lines

[git/cctbx_project] master: Remove imports (90c04d77c)

CCTBX commit

Wed, 22 May 2019 21:42:03 -0700

118 lines

[git/cctbx_project] master: NBO: check for monomer library. (8c96ab67d)

CCTBX commit

Wed, 22 May 2019 21:38:30 -0700

127 lines

[git/cctbx_project] master: Ligand validation: use new clashes class. Cleanup. (679086e6a)

CCTBX commit

Wed, 22 May 2019 20:47:45 -0700

812 lines

[git/cctbx_project] master: fixing some phil logic (61d1df1d9)

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)

DXTBX commit

Wed, 22 May 2019 12:13:42 +0100

195 lines

Jenkins 5a cctbx Tests build 8381 Fixed

DLS Jenkins

Wed, 22 May 2019 11:01:31 +0100

42 lines

[git/cctbx_project] master: Skip test if monomer library not present (2b19fb7b5)

CCTBX commit

Wed, 22 May 2019 10:53:00 +0100

132 lines

[git/cctbx_project] master: Reactivate flex. Dont trust findimports... (54516c0a7)

CCTBX commit

Tue, 21 May 2019 23:29:35 -0700

87 lines

[git/cctbx_project] master: Ligand validation: adapt clashes code. Cleanup. Make test. (f5a6dda8d)

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)

CCTBX commit

Tue, 21 May 2019 17:26:31 -0700

1137 lines

Jenkins 5a cctbx Tests build 8377 Unstable

DLS Jenkins

Wed, 22 May 2019 00:05:40 +0100

52 lines

[git/cctbx_project] master: NBO: Remove unnecessary check. Activate test. (3859d4053)

CCTBX commit

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)

CCTBX commit

Tue, 21 May 2019 12:16:10 -0700

408 lines

[git/cctbx_project] master: incremental gui development (cd3c9820b)

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)

DXTBX commit

Tue, 21 May 2019 13:28:08 +0100

235 lines

[git/dxtbx] master: split up test (4ee5585)

DXTBX commit

Tue, 21 May 2019 13:28:08 +0100

87 lines

[git/cctbx_project] master: getting rid of unused imports, bare excepts (835b8053a)

CCTBX commit

Mon, 20 May 2019 22:51:21 +0100

178 lines

[git/cctbx_project] master: some more bugfixes (97f558692)

CCTBX commit

Mon, 20 May 2019 14:26:55 -0700

219 lines

[git/cctbx_project] master: NBO: sort_clashes method, is_clashing method. Plus tests. (74c9d8edc)

CCTBX commit

Mon, 20 May 2019 12:39:04 -0700

633 lines

[git/cctbx_project] master: Added NGL_HKLviewerGui.py (639c79ac0)

CCTBX commit

Mon, 20 May 2019 19:11:55 +0100

1005 lines

[git/cctbx_project] master: yet even more changes towards a gui (34d260c2f)

CCTBX commit

Mon, 20 May 2019 19:09:39 +0100

385 lines

[git/cctbx_project] master: Missing headers hint for macOS >= 10.14 (#240, #333) (d6f0f744b)

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)

CCTBX commit

Mon, 20 May 2019 09:31:13 +0100

113 lines

[git/cctbx_project] master: NBO: cleanup and docstrings. (6567ccec3)

CCTBX commit

Sat, 18 May 2019 23:24:01 -0700

407 lines

[git/cctbx_project] master: NBOs: refactor tests (5114803a8)

CCTBX commit

Sat, 18 May 2019 23:00:41 -0700

1629 lines

[git/cctbx_project] master: NBO: refactor tests. (0cd11e38a)

CCTBX commit

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)

CCTBX commit

Sat, 18 May 2019 14:12:53 -0700

1101 lines

[git/cctbx_project] master: NBO: refactoring, transfer test. (fa8ed2966)

CCTBX commit

Sat, 18 May 2019 13:13:48 -0700

1409 lines

[git/cctbx_project] master: more plotting bugfixes (036ad1652)

CCTBX commit

Fri, 17 May 2019 16:59:26 -0700

2021 lines

[git/cctbx_project] master: NBO: transfer test. (b95f4c4e5)

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)

CCTBX commit

Fri, 17 May 2019 11:20:03 -0700

506 lines

[git/cctbx_project] master: even more changes towards a gui (da8d4d767)

CCTBX commit

Fri, 17 May 2019 18:59:17 +0100

527 lines

[git/dxtbx] master: Revert unicode cbf changes. (dbe6803)

DXTBX commit

Fri, 17 May 2019 09:27:34 -0700

183 lines

Jenkins 5a cctbx Tests build 8352 Fixed

DLS Jenkins

Fri, 17 May 2019 16:28:00 +0100

43 lines

[git/dxtbx] master: Horrible hack (ebe7369)

DXTBX commit

Fri, 17 May 2019 16:19:26 +0100

106 lines

Jenkins 5a cctbx Tests build 8351 Unstable

DLS Jenkins

Fri, 17 May 2019 15:54:20 +0100

52 lines

[git/dxtbx] master: Reverse definitions of detector size (f0f3e1e)

DXTBX commit

Fri, 17 May 2019 15:40:32 +0100

140 lines

[git/dxtbx] master: Make error message slightly more useful (dca41d4)

DXTBX commit

Fri, 17 May 2019 12:03:30 +0100

130 lines

[git/cctbx_project] master: NBO: refactor the class (5f13bf983)

CCTBX commit

Thu, 16 May 2019 22:45:51 -0700

1125 lines

[git/cctbx_project] master: plotting bugfixes (dc3720bf2)

CCTBX commit

Thu, 16 May 2019 18:01:10 -0700

1845 lines

[git/dxtbx] master: Py2/3 more Unicode -> bytes in cbf land (0f31f2b)

DXTBX commit

Thu, 16 May 2019 16:36:30 -0700

1572 lines

[git/cctbx_project] master: strange reason for test failure (83c4cabd2)

CCTBX commit

Thu, 16 May 2019 16:15:46 -0700

101 lines

Jenkins 5a cctbx Tests build 8346 Fixed

DLS Jenkins

Fri, 17 May 2019 00:09:16 +0100

43 lines

[git/dxtbx] master: Back out one of the unicode changes to make the tests pass again. (29943ce)

DXTBX commit

Thu, 16 May 2019 15:56:38 -0700

91 lines

Jenkins 5a cctbx Tests build 8345 Unstable

DLS Jenkins

Thu, 16 May 2019 23:41:28 +0100

284 lines

[git/cctbx_project] master: corrected logic (cabb46b75)

CCTBX commit

Thu, 16 May 2019 15:32:02 -0700

92 lines

[git/dxtbx] master: Py 2/3: handle strings in cbflib (5e69ff6)

DXTBX commit

Thu, 16 May 2019 15:29:24 -0700

1812 lines

[git/cctbx_project] master: needed to work with non-loop restraints (ef6265d77)

CCTBX commit

Thu, 16 May 2019 15:19:29 -0700

87 lines

[git/cctbx_project] master: stub for more detailed metal coordination filtering (27413a55e)

CCTBX commit

Thu, 16 May 2019 15:19:29 -0700

140 lines

[git/dxtbx] master: refactoring: avoid 'unicode', simplify code (2547fbb)

DXTBX commit

Thu, 16 May 2019 22:57:52 +0100

168 lines

[git/dxtbx] master: Py2/3 metaclass (e987b8a)

DXTBX commit

Thu, 16 May 2019 10:39:25 -0700

133 lines

[git/cctbx_project] master: more changes towards a gui (9cc60a331)

CCTBX commit

Thu, 16 May 2019 18:17:38 +0100

973 lines

[git/dxtbx] master: File refactoring (f1a5e55)

DXTBX commit

Thu, 16 May 2019 16:31:25 +0100

1630 lines

[git/dxtbx] master: map not subscriptable (c28cc4a)

DXTBX commit

Thu, 16 May 2019 16:08:46 +0100

88 lines

[git/dxtbx] master: clean clutter (139877c)

DXTBX commit

Thu, 16 May 2019 16:05:03 +0100

180 lines

[git/dxtbx] master: forward compatibility (510921d)

DXTBX commit

Thu, 16 May 2019 11:00:54 +0100

168 lines

[git/cctbx_project] master: NBO: stub for new class. (e26864c29)

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)

CCTBX commit

Wed, 15 May 2019 16:13:20 -0700

328 lines

[git/cctbx_project] master: NBO: refactor tests to use model class. (5568470ad)

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)

CCTBX commit

Wed, 15 May 2019 18:07:47 +0100

368 lines

[git/dxtbx] master: Reject commits w/ merge conflicts or large files (db23201)

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)

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)

CCTBX commit

Tue, 14 May 2019 16:04:22 -0700

439 lines

[git/cctbx_project] master: Use import flex (6069c0e31)

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)

CCTBX commit

Tue, 14 May 2019 14:04:47 -0700

1745 lines

[git/cctbx_project] master: un-cluttering (6ad3b0cd3)

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)

CCTBX commit

Tue, 14 May 2019 18:07:22 +0100

726 lines

[git/cctbx_project] master: update repository location (6e9db339f)

CCTBX commit

Tue, 14 May 2019 10:45:25 +0100

88 lines

[git/cctbx_project] master: un-cluttering (d9e7c78cc)

CCTBX commit

Mon, 13 May 2019 21:38:58 +0100

82 lines

[git/cctbx_project] master: Refactor nonbonded_overlaps: use program template. (91181a149)

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)

CCTBX commit

Mon, 13 May 2019 18:10:08 +0100

603 lines

[git/dxtbx] master: cleanup (c6b2624)

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)

CCTBX commit

Sun, 12 May 2019 22:53:04 -0700

160 lines

[git/cctbx_project] master: configure: use installed scons, if available (71f4b84d7)

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)

CCTBX commit

Sun, 12 May 2019 19:26:35 -0700

162 lines

[git/cctbx_project] master: Fix tls test on Windows (b56d5d9c8)

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)

CCTBX commit

Fri, 10 May 2019 13:09:31 -0700

93 lines

[git/cctbx_project] master: Make workers able to be ran standalone (abec745b8)

CCTBX commit

Fri, 10 May 2019 08:47:05 -0700

453 lines

[git/cctbx_project] master: Update boilerplate to save results (98a8762a1)

CCTBX commit

Fri, 10 May 2019 08:36:51 -0700

109 lines

[git/dxtbx] master: Revert FormatSMVJHSim (692baf7)

DXTBX commit

Fri, 10 May 2019 09:39:45 +0100

117 lines

[git/dxtbx] master: Raise a Sorry when invalid image passed (56d9601)

DXTBX commit

Fri, 10 May 2019 04:27:02 +0100

281 lines

[git/cctbx_project] master: Add mtz output (c1bc1e3b9)

CCTBX commit

Thu, 9 May 2019 11:07:59 -0700

310 lines

[git/cctbx_project] master: Handle mpack (384ace794)

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)

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)

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)

CCTBX commit

Thu, 9 May 2019 05:24:44 +0900

175 lines

[git/cctbx_project] master: Sort runs for run stats standalone (879d0cf25)

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)

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)

CCTBX commit

Thu, 9 May 2019 02:09:39 +0900

154 lines

[git/dxtbx] master: Consistent trusted_range for FormatSMVADSC etc. (5e6cbae)

DXTBX commit

Wed, 8 May 2019 13:56:01 +0100

673 lines

[git/cctbx] master: bug fixes (57581855f)

CCTBX commit

Tue, 7 May 2019 19:05:39 +0100

269 lines

[git/cctbx] master: conda: use warning instead of error (d83b77c69)

CCTBX commit

Mon, 6 May 2019 19:17:52 -0700

97 lines

[git/cctbx] master: Parameters to fine-tune hbond angle sigmas. (c14114868)

CCTBX commit

Mon, 6 May 2019 17:30:56 -0700

392 lines

[git/cctbx] master: Better NCS groups filtering. (0d61d621b)

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)

CCTBX commit

Mon, 6 May 2019 10:42:55 -0700

214 lines

[git/cctbx] master: removed unused imports that I am actually using (ae48defa0)

CCTBX commit

Sun, 5 May 2019 09:13:32 -0700

101 lines

[git/cctbx] master: added new test for mosaic spread functionality (334d037e8)

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)

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)

CCTBX commit

Sun, 5 May 2019 08:44:26 -0700

96 lines

[git/cctbx] master: multiple fixes in nonsense space (d5997e85f)

CCTBX commit

Sun, 5 May 2019 22:45:14 +0800

987 lines

[git/dxtbx] master: Clean clutter (52bb9cb)

DXTBX commit

Sun, 5 May 2019 05:10:21 +0100

119 lines

[git/cctbx] master: DataManager: add default output filenames (ba89fd229)

CCTBX commit

Sat, 4 May 2019 20:11:14 -0700

397 lines

[git/cctbx] master: DataManager: update default filename functions (85f78d0ee)

CCTBX commit

Sat, 4 May 2019 19:18:54 -0700

617 lines

[git/cctbx] master: ProgramTemplate: handle case where DataManager is None (76c486f1f)

CCTBX commit

Sat, 4 May 2019 17:59:37 -0700

113 lines

[git/cctbx] master: DataManager: add default output filename and overwrite options (d87000681)

CCTBX commit

Sat, 4 May 2019 17:44:13 -0700

1013 lines

[git/cctbx] master: mmtbx: fix extension name (19a1b2104)

CCTBX commit

Sat, 4 May 2019 17:28:30 -0700

82 lines

[git/cctbx] master: Remove accidental commit of tmp files (4b35afc56)

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)

CCTBX commit

Sat, 4 May 2019 19:19:55 +0800

1861 lines

[git/cctbx] master: sequence_cif: update tests to use model class (a5833139f)

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)

CCTBX commit

Fri, 3 May 2019 17:11:48 -0700

89 lines

[git/cctbx] master: Reapply f83b17271c30e8a7aefc59cb6dc09e6e1b78d51d to new location (1e37191b7)

CCTBX commit

Fri, 3 May 2019 14:41:55 -0700

125 lines

[git/cctbx] master: Move mmCIF output of sequence loops (85158210b)

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)

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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Fri, 3 May 2019 14:41:55 -0700

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[git/cctbx] master: DataManager: unset stop_for_uknowns, no longer needed (bf8c7d7be)

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[git/cctbx] master: Add restraints to mmCIF output from mmtbx.prepare_pdb_deposition (d9861bed3)

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[git/cctbx] master: Comparama: more arrows, more color control. (20be6745a)

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Fri, 3 May 2019 14:34:17 -0700

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[git/cctbx] master: LV: Stub for CCs. (6e2a1d2e3)

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Fri, 3 May 2019 10:44:29 -0700

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[git/cctbx] master: Automatic scaling of radii to ensure smallest radius is 0.25*largest radius (c5ca1309c)

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Fri, 3 May 2019 17:56:44 +0100

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[git/cctbx] master: Return NaN if NaN submitted to roundoff() rather than crashing on Python3 (471dcb25d)

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Fri, 3 May 2019 14:26:01 +0100

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[git/dxtbx] master: enable proper pre-commits for dxtbx (b47ddc2)

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Fri, 3 May 2019 12:39:55 +0100

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[git/cctbx] master: Add get_sites_frac method (1c6e68e97)

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Fri, 3 May 2019 15:48:44 +0800

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[git/cctbx] master: Tool to find reserved names (334ca5589)

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Fri, 3 May 2019 07:42:18 +0100

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[git/cctbx] master: Add delay before loading file for update (0c9f39f9d)

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Thu, 2 May 2019 22:34:08 -0700

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[git/cctbx] master: Update README.md (1b6a0061a)

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Thu, 2 May 2019 15:39:24 -0700

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[git/cctbx] master: Bug fix for unknown miller array type FOM label formatting on colour gradient chart (130a6cd07)

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Thu, 2 May 2019 18:07:26 +0100

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[git/cctbx] master: Partially Revert "Merge pull request #317 from msgpack_as_default" (57ca8299e)

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Thu, 2 May 2019 09:37:10 -0700

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[git/cctbx] master: Clean clutter (59ba24436)

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Thu, 2 May 2019 09:28:25 -0700

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[git/dxtbx] master: Combine all __future__ imports into one statement (8094491)

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Thu, 2 May 2019 15:06:24 +0100

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[git/cctbx] master: Sort chains on resno and chain ID (bf61dbc6d)

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Thu, 2 May 2019 08:01:58 -0600

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[git/cctbx] master: fix typo (5700dc6db)

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Thu, 2 May 2019 05:45:59 -0700

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[git/cctbx] master: fix missing set of chain ID (7293edca6)

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Thu, 2 May 2019 05:03:49 -0700

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[git/cctbx] master: Merge #316: Implement parts of mmtbx.TLS in C++ (2de01b24c)

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Thu, 2 May 2019 11:49:07 +0100

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[git/cctbx] master: change pytest tests into libtbx tests. register in mmtbx.run_tests. (eee7382aa)

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Wed, 1 May 2019 23:02:07 -0700

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[git/cctbx] master: remove unused imports. add from __future__ import division. remove unused functions. fix typo in tests. (347e21b43)

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Wed, 1 May 2019 23:02:07 -0700

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[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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Wed, 1 May 2019 23:02:07 -0700

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[git/cctbx] master: clean clutter (trailing whitespace) (ce4e7d3b0)

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[git/cctbx] master: add missing assert statements in tests (f9070af05)

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Wed, 1 May 2019 23:02:07 -0700

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[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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Wed, 1 May 2019 23:02:07 -0700

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[git/cctbx] master: convert 4-space indents to 2-space indents. (d60159532)

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Wed, 1 May 2019 23:02:07 -0700

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[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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Wed, 1 May 2019 23:02:07 -0700

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[git/cctbx] master: add pytest discovery to mmtbx/run_tests.py (bec02c711)

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[git/cctbx] master: fix typo in mmtbx/tls/analysis.py (8cc18a3ab)

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Wed, 1 May 2019 23:02:07 -0700

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[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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Wed, 1 May 2019 23:02:07 -0700

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[git/cctbx] master: refactor mmtbx/tls/optimise_amplitudes (b84037627)

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Wed, 1 May 2019 23:02:07 -0700

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[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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[git/cctbx] master: changes for windows compatibility. change and/or to &&/||. (8bf8e6fa2)

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[git/cctbx] master: Skip chain_type in extract_unique_part_of_hierarchy because it could be mixed (8365b54ca)

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Wed, 1 May 2019 18:52:34 -0700

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[git/cctbx] master: Remove unused import (98e178ce7)

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[git/cctbx] master: allow optimization of molecule in extracting ncs au (961055df3)

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[git/cctbx] master: Clean clutter Print label of displayed miller array (ab1a63497)

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Wed, 1 May 2019 19:25:33 +0100

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[git/cctbx] master: Bug fix: filter out noise (25738dc4a)

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Wed, 1 May 2019 20:20:07 +0800

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[git/cctbx] master: Avoid setting vdw radius to None in rare cases of unknown atom types (9839e81ba)

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[git/cctbx] master: added ReadMe (4fefcb2aa)

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Tue, 30 Apr 2019 23:24:29 +0100

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