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April 2017


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[git/cctbx] master: bug fix (adf1e0818)

CCTBX Commit via DLS Jenkins

Sat, 29 Apr 2017 16:14:50 -0700

71 lines

Jenkins 5b cctbx MacOS build 1227 Unstable

Jenkins Build Server (Diamond)

Sat, 29 Apr 2017 03:42:12 +0100

266 lines

[git/cctbx] master: phenix.mtriage: new command line tool to assess qualities of cryo-EM maps. (3a596d852)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 19:10:38 -0700

768 lines

[git/cctbx] master: relaxing threshold for SS (b7384e063)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 13:55:17 -0700

121 lines

[git/cctbx] master: Partial bugfix in adding new bond to GRM with test. (e00d0f4d4)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 12:36:51 -0700

210 lines

[git/cctbx] master: suppressing excessive output in MI (06bd5b0a9)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 12:36:51 -0700

231 lines

[git/cctbx] master: Shift origin if needed (16bc22f24)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 12:17:12 -0700

104 lines

[git/cctbx] master: Bug fix: d_min -> d_mid (95147005e)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 11:16:25 -0700

72 lines

[git/cctbx] master: Ensure repetitive calls result in same results (d1ee93401)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 11:12:26 -0700

216 lines

[git/cctbx] master: Add option to use smooth mask to mask out region outside the molecule for d_fsc calculation using half-maps (1dd7a4fd0)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 09:32:45 -0700

190 lines

[git/cctbx] master: Add exception hierarchy so that specific errors can be caught. Closes #17 as errors can now be handled upstream. (631c201c9)

CCTBX Commit via DLS Jenkins

Fri, 28 Apr 2017 10:25:39 +0100

116 lines

[git/cctbx] master: some cleanup of output (3306b6e53)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 17:42:07 -0700

549 lines

[git/cctbx] master: remove some debut printing (faff6b702)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 17:42:07 -0700

95 lines

[git/cctbx] master: Separate map smoothening and mask calculation. Add more flexibility to mask calculation (external radii, etc). (076ae906b)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 16:56:28 -0700

547 lines

[git/cctbx] master: Only find new images (d4c6f163a)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 16:03:35 -0700

323 lines

[git/cctbx] master: Add smooth mask (e246bc745)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 13:15:13 -0700

417 lines

[git/cctbx] master: Fix printout (a9e2295d4)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 13:32:59 -0600

100 lines

[git/cctbx] master: small fixes (d36db6677)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 11:17:38 -0700

102 lines

[git/cctbx] master: stub for ss_idealization CL just for testing (5c525edaf)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 11:01:20 -0700

125 lines

[git/cctbx] master: Make failure type consistent with the other one (1c147043c)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 10:39:09 -0700

80 lines

[git/cctbx] master: SSV: case when annotation present, no protein (1c2x) (aec622e43)

CCTBX Commit via DLS Jenkins

Thu, 27 Apr 2017 10:39:09 -0700

81 lines

[git/cctbx] master: Updates to image monitor (2a9e0eaf4)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 18:08:59 -0700

588 lines

[git/cctbx] master: Move deep copies into the offending function, add a note. (c710894c6)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 15:57:18 -0700

118 lines

[git/cctbx] master: Merge branch 'master' of github.com:cctbx/cctbx_project (1a8b889f3)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 15:09:19 -0700

60 lines

[git/cctbx] master: Ringer fix, mtriage fix for rare corner cases. (e668067c5)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 15:09:13 -0700

406 lines

[git/cctbx] master: New utility function safe_div and some safeguaring in ss_validation (79c52a87f)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 15:02:48 -0700

330 lines

[git/cctbx] master: exclude amber.python from creation (8dafdbd55)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 13:31:39 -0700

92 lines

[git/cctbx] master: assortment of bug fixes (a2ddfb61a)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 12:56:00 -0700

177 lines

[git/cctbx] master: add show method (bb947fb8a)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 10:29:01 -0700

116 lines

[git/cctbx] master: enabling access to the defaults... (409e019fb)

CCTBX Commit via DLS Jenkins

Wed, 26 Apr 2017 10:29:24 +0100

87 lines

Jenkins 5b cctbx MacOS build 1207 Fixed

Jenkins Build Server (Diamond)

Wed, 26 Apr 2017 08:30:12 +0100

37 lines

Jenkins 5b cctbx MacOS build 1206 Failure

Jenkins Build Server (Diamond)

Wed, 26 Apr 2017 04:54:48 +0100

126 lines

[git/cctbx] master: Extreme minimization (515c914db)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:21:07 -0700

302 lines

[git/cctbx] master: proper cutoff for CCD termination (749414bc8)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:21:07 -0700

75 lines

[git/cctbx] master: output file before minimization to study side-chain clashes of fixed residues (10bf7304f)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:21:07 -0700

85 lines

[git/cctbx] master: MI:Minimization: 5 cycles without improvemenet-terminate (c5cf63a78)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:21:07 -0700

175 lines

[git/cctbx] master: fixing omega recounting was missing (d1fa188f0)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:21:07 -0700

98 lines

[git/cctbx] master: Real-time diffraction monitor (446836806)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:12:45 -0700

2347 lines

[git/cctbx] master: Fixing wrong tool name in help (9795192d5)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 17:06:48 -0700

77 lines

[git/cctbx] master: Make discard_if_worse=False default (338367667)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 14:46:10 -0600

77 lines

[git/cctbx] master: more cleaning, fix on_slope does not have to be such new fsc=0 (70cec0872)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 11:54:50 -0700

250 lines

[git/cctbx] master: Allow verbose output to see CC vs resolution (899ac430f)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 12:53:56 -0600

260 lines

[git/cctbx] master: Fix serious bug introduced this week in segment_and_split_map where wrong symmetry was used (a16e9d6f0)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 09:59:45 -0600

164 lines

[git/cctbx] master: Use consistent region_weight of 40 (2262570c3)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 08:08:32 -0600

113 lines

[git/cctbx] master: dxtbx: support both SmarGon and mini-Kappa gonoimeter shadow masks in I04 format class (0f0a5283f)

CCTBX Commit via DLS Jenkins

Tue, 25 Apr 2017 10:39:07 +0100

801 lines

[git/cctbx] master: make slices thinner (217f63659)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 23:16:52 -0700

198 lines

[git/cctbx] master: Revert max_like sign error change from Feb 2017 (a44c5b6f5)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 16:46:44 -0700

85 lines

[git/cctbx] master: Hook up multiprocessing at the dials.combine_experiments stage. (e6fde5059)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 15:10:31 -0700

361 lines

[git/cctbx] master: Bugfix (b4bb39bd9)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 15:10:31 -0700

72 lines

[git/cctbx] master: Bugfix: return empty list of clusters when only one xtal provided. (87a850f73)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 15:10:31 -0700

161 lines

[git/cctbx] master: Fix printout to sys.stdout (895644ecb)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 14:45:50 -0600

108 lines

[git/cctbx] master: more refactoring (ae3539c71)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 13:23:24 -0700

345 lines

[git/cctbx] master: Getting it closer to be ready for phenix.mtriage (2b8adc71e)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 11:32:46 -0700

656 lines

[git/cctbx] master: Make region_weight same in map_to_model and auto_sharpen (20) (ca74bf494)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 08:19:43 -0600

127 lines

[git/cctbx] master: require ncs-related points to be inside box (078d28468)

CCTBX Commit via DLS Jenkins

Mon, 24 Apr 2017 06:09:25 -0600

148 lines

[git/cctbx] master: Make sure we use correct ncs copy (1c120a25d)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 20:21:17 -0600

147 lines

[git/cctbx] master: some cleanup, still dirty (ba3e78784)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 18:49:35 -0700

319 lines

[git/cctbx] master: fix some of broken tests (8f6f60fcf)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 18:11:15 -0700

243 lines

[git/cctbx] master: add crystal_symmetry (was missing) (37ee12ff8)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 17:43:41 -0700

643 lines

[git/cctbx] master: Snapshot of a dirty code in active development. (dbf1d211b)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 17:08:54 -0700

335 lines

[git/cctbx] master: Add FSC and resolution from FSC calculation. Centralize structure_factor_box_from_map, shift_origin_if_needed. (43663be7b)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 17:08:53 -0700

654 lines

[git/cctbx] master: Add FSC and resolution from FSC calculation. Centralize structure_factor_box_from_map, shift_origin_if_needed. (fe5ef477e)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 17:08:53 -0700

978 lines

[git/cctbx] master: replace xray_structure with sites_cart in shift_origin_if_needed (b6ef5df65)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 17:08:53 -0700

391 lines

[git/cctbx] master: Update auto_Sharpen to allow control of auto_sharpen=True discard_if_worse=False (87dcda31a)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 18:00:09 -0600

1406 lines

[git/cctbx] master: More OOP for map_model_cc. (0bfb69019)

CCTBX Commit via DLS Jenkins

Sun, 23 Apr 2017 13:18:10 -0700

675 lines

[git/cctbx] master: Use default local_sharpening=False (93ed3671d)

CCTBX Commit via DLS Jenkins

Sat, 22 Apr 2017 14:49:56 -0600

77 lines

[git/cctbx] master: cosmetic fixes (686042171)

CCTBX Commit via DLS Jenkins

Sat, 22 Apr 2017 13:25:31 -0700

124 lines

[git/cctbx] master: Refactor code to decouple io/cli/library functions. Combined results as one object. Improve tests. (638d8fa37)

CCTBX Commit via DLS Jenkins

Sat, 22 Apr 2017 13:06:31 -0700

959 lines

[git/cctbx] master: move to a better place cctbx/maptbx/__init__.py (52d7c6657)

CCTBX Commit via DLS Jenkins

Sat, 22 Apr 2017 13:02:12 -0700

110 lines

[git/cctbx] master: Putative coordinate fixes for Eiger and NeXus data (b78a09477)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 17:12:15 -0700

203 lines

[git/cctbx] master: Account for sign flip in iotbx Eiger implementation. (e793bf76e)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 17:12:15 -0700

79 lines

[git/cctbx] master: Turn on local sharpening as default (ac797efd2)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 17:25:20 -0600

78 lines

[git/cctbx] master: allow case with only one region in sharpening (bebada4ff)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 17:06:26 -0600

98 lines

[git/cctbx] master: Refactored FormatCBFMiniPilatus, moving methods that handle generic minicbf to the parent class, so that simulated images can be generated without having to follow the Pilatus detector sizes and tiling arrangements. Same comments for file writing with as_file(). (c14f4ca78)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 15:51:29 -0700

1357 lines

[git/cctbx] master: quick test for a function added to model_statistics. (bb927f534)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 14:43:02 -0700

75 lines

[git/cctbx] master: Use c-beta outlier percentage in phenix.real_space_refine (e8ac53cac)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 14:30:22 -0700

100 lines

[git/cctbx] master: Process Auto -> int for run2 (23f424e4e)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 14:29:48 -0700

100 lines

[git/cctbx] master: Make cbeta percent available in model_statistics, use in MI (d43760b7b)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:59:49 -0700

111 lines

[git/cctbx] master: Don't do CCD, just evaluate different starting conformations in case when some of the atoms for anchor are not available. This mostly happens at the end of chain (no further residue available). (31b3bc96d)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:30:05 -0700

312 lines

[git/cctbx] master: Automatic number of refinement cycles (1212d5a46)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:30:05 -0700

483 lines

[git/cctbx] master: Output molprobity after each minimization step (31cee8ebe)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:30:05 -0700

113 lines

[git/cctbx] master: various fixes and safeguards (ef4897ce9)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:30:05 -0700

335 lines

[git/cctbx] master: added functions for internal access of summary statistics to cbetadev (34448e2f7)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 16:11:13 -0400

242 lines

[git/cctbx] master: Allow adjustment of smoothing radius and writing out/in of local sharpening maps (9bf78286c)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:58:51 -0600

1080 lines

[git/cctbx] master: Some updates to Sphinx documentation about installation and GitHub (9d5ff50f8)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 11:58:58 -0700

534 lines

[git/cctbx] master: Bugfix (875b6c3cd)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 10:51:21 -0700

82 lines

[git/cctbx] master: No detectorbase for FormatCBFMultiTile (f570d3c7d)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 10:38:29 -0700

75 lines

[git/cctbx] master: Use data from original hdf5 master handle to avoid opening lots of file handles (d289b13f7)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 15:01:36 +0100

115 lines

[git/cctbx] master: remove broken URL reference (Is fetch_dependencies actually used?) (a7c3b61c4)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 14:14:46 +0100

95 lines

[git/cctbx] master: Update HDF5 library and h5py. Closes #29 (2ece64799)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 14:14:45 +0100

232 lines

[git/cctbx] master: Removed check for scan being same length as images in imageset as this causes import to fail if we want to extend the image range (4d84d0fbe)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 13:57:11 +0100

80 lines

[git/cctbx] master: Moved format class to dials regression (68b73142b)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 08:55:05 +0100

533 lines

[git/cctbx] master: Moved format class to dials_regression (9cc1932e8)

CCTBX Commit via DLS Jenkins

Fri, 21 Apr 2017 08:54:58 +0100

398 lines

[git/cctbx] master: Implement local sharpening (87c60466c)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 22:06:22 -0600

289 lines

[git/cctbx] master: minor edits for plan_sad_experiment (raise sorry if solvent fraction more than one); continue introduction of local sharpening in auto_sharpen (still in progress) (1be0c746a)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 20:51:41 -0600

823 lines

[git/cctbx] master: Remove obsolete file - no longer used. (6e8d77216)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 16:00:54 -0700

492 lines

[git/cctbx] master: Minor clean-up (18462741a)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:59:07 -0700

98 lines

[git/cctbx] master: Handle multipanlel NeXus detectors in MaskFactory. (6bc35ee90)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

357 lines

[git/cctbx] master: Turn off FormatHDF5Nexus. This was implemented to an older example and has been superceeded by FormatNexus (0e10fd5b8)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

75 lines

[git/cctbx] master: Make several NeXus fields optional that might not be present in NeXus file. (21cbb6064)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

228 lines

[git/cctbx] master: Handle hierarchical detectors from a NXdetector_group. Work in progress. (92d96caf6)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

667 lines

[git/cctbx] master: Add NXdetector_group class and support for picking it up in NXinstrument (d9ea4c08b)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

184 lines

[git/cctbx] master: Add indexing for the Beam model in NeXus to allow variable wavelengths in an array, one for each image (df0dc09df)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

156 lines

[git/cctbx] master: Pick up hierarchical detector in NeXus by using DetectorFactoryFromGroup. (f1fcfe75f)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

181 lines

[git/cctbx] master: Code to read multi-panel pixel data from NeXus files, using the data_origin and data_size fields in NXdetector_module (3a77520bc)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

416 lines

[git/cctbx] master: Multipanel detectors in NeXus: change of basis to convert from NeXus to IUCr/ImageCIF convention (0ca29f6e6)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

167 lines

[git/cctbx] master: Add FormatNexusStill to FormatNexus (453902c39)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

220 lines

[git/cctbx] master: Handle missing type in NXdetector. Handle no goniometer case. (018fab65e)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

113 lines

[git/cctbx] master: Bugfix (8ab4d0949)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

73 lines

[git/cctbx] master: NeXus changes (a4bd0af31)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

189 lines

[git/cctbx] master: Multipanel NeXus: add missing values (trusted range, thickness, material, mu and pixel to mm strategy) (480c74395)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:47:34 -0700

247 lines

[git/cctbx] master: add more tests (793a82206)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:07:22 -0700

458 lines

[git/cctbx] master: clean up code (ec63d5960)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 15:07:11 -0700

284 lines

[git/cctbx] master: Fix to allow 'understand' check from command line (4271cdb4a)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 09:47:30 +0100

70 lines

[git/cctbx] master: Add exclusions borrowed from FormatSMVADSC otherwise this Format claims to understand too much. @jmp1985 I still think there is a danger of this Format 'understanding' images intended for the FormatSMVADSC class, from which this does not derive. (26a676218)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 09:47:30 +0100

93 lines

[git/cctbx] master: Adjust test given fix to cbflib in https://github.com/yayahjb/cbflib/issues/6 (6fe419dc8)

CCTBX Commit via DLS Jenkins

Thu, 20 Apr 2017 09:40:26 +0100

83 lines

[git/cctbx] master: Update auto_sharpen to partly use local sharpening (729e94889)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 17:41:03 -0600

2019 lines

[git/cctbx] master: Necessary substitutions for shifter (b12df0a34)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 15:49:14 -0700

207 lines

[git/cctbx] master: Move and refactor generalized multiprocessing. Add custom and shifter support. (93a268abb)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 15:32:05 -0700

1840 lines

[git/cctbx] master: add tests for modified version of set_box (14929daf7)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 12:05:34 -0700

168 lines

[git/cctbx] master: modify set_box to be able to use boxes across border of unit cell (6962a4fc9)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 12:05:34 -0700

286 lines

[git/cctbx] master: Clean clutter. Developers please use libtbx.add_from_future_import_division if indicated by libtbx.find_clutter. (edd595640)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 10:09:06 -0700

171 lines

[git/cctbx] master: dxtbx: bug fix for instantiating dxtbx objects from a FullCBF still shot (fa294691a)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 15:42:31 +0100

202 lines

[git/cctbx] master: more informative error message (51bedf90b)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 14:23:27 +0100

77 lines

[git/cctbx] master: Set base directory for tmpdir fixtures in py.test tests (db7244cf2)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 11:35:54 +0100

79 lines

[git/cctbx] master: Added a function to check an array of angles (e457b2a97)

CCTBX Commit via DLS Jenkins

Wed, 19 Apr 2017 09:25:26 +0100

120 lines

[git/cctbx] master: Temporary output pdb (d5843c961)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 15:18:31 -0700

81 lines

[git/cctbx] master: checking for none (7708a2615)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 15:18:31 -0700

80 lines

[git/cctbx] master: Checking omega to decide if ccd is needed (a573ab1a4)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 15:18:31 -0700

107 lines

[git/cctbx] master: Running from_ca method when ksdssp failed. Adjusted test. (af2e996e1)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 15:18:31 -0700

176 lines

[git/cctbx] master: MI: output cablam validation, don't output debug file (1629a6aff)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 15:18:31 -0700

158 lines

[git/cctbx] master: GUI: added system path for icons on linux; fixes gtk warning issues when running Phenix GUI natively on linux desktop; running GUI over X11 still seems to show warnings (143cfea77)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 15:05:29 -0700

83 lines

[git/cctbx] master: Fail early if on Mac and zlib.h not in default location. Closes #26 (daea6f6c5)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 20:30:25 +0100

81 lines

[git/cctbx] master: update auto_sharpening with aniso correction (d70c9871c)

CCTBX Commit via DLS Jenkins

Tue, 18 Apr 2017 12:51:32 -0600

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[git/cctbx] master: Need to remove afitt and amber dirs earlier (d0a03539c)

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Tue, 18 Apr 2017 10:18:43 -0700

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[git/cctbx] master: dxtbx/format/FormatCBFFullPilatusDLS6MSN100.py: include more points in gonio shadow model than just corners of square (cf21278b4)

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Tue, 18 Apr 2017 11:08:34 +0100

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[git/cctbx] master: Set maximum gzip compression level for installers. (Although this should be replaced by xz or bzip2 really) (fb341e053)

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Tue, 18 Apr 2017 08:29:58 +0100

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[git/cctbx] master: Update map shapening to apply aniso correction in case where model and half-map is not used (16b2e7cff)

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Mon, 17 Apr 2017 21:06:52 -0600

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[git/cctbx] master: Not using GRM for statistics because it is not necessary for now. (b12fecf6e)

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Mon, 17 Apr 2017 16:33:55 -0700

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[git/cctbx] master: making percentage of twisted and cis available in model_statistics (8c75e9b5e)

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Mon, 17 Apr 2017 15:57:40 -0700

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[git/cctbx] master: MI: Turning off hydrogens for now (85b6ccf38)

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Mon, 17 Apr 2017 15:57:40 -0700

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[git/cctbx] master: MI: Making add hydrogens work when NCS present. First attempt. (25b4dfcad)

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Mon, 17 Apr 2017 15:57:40 -0700

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[git/cctbx] master: couple of safeguards (55560b9c3)

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[git/cctbx] master: Initial addition of hydrogens, does not work for NCS (a43ed8d10)

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Mon, 17 Apr 2017 15:55:54 -0700

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[git/cctbx] master: Corner case when not all backbone atoms are present (87810f284)

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[git/cctbx] master: Corner case when not all backbone atoms are present (5de6ab577)

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Mon, 17 Apr 2017 15:55:54 -0700

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[git/cctbx] master: Using correct way of generating residue number in peak_holes. (9f14f427c)

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Mon, 17 Apr 2017 15:41:28 -0700

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[git/cctbx] master: Modifying model_statistics to make twisties available (c4a0d2951)

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Mon, 17 Apr 2017 15:41:19 -0700

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[git/cctbx] master: Swap priority of HDF5 plugin path such that our HDF5 plugins take priority over the users. (b063e825e)

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Mon, 17 Apr 2017 15:12:57 -0700

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[git/cctbx] master: remove all amber directories (58ea43dd9)

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Mon, 17 Apr 2017 14:43:39 -0700

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[git/cctbx] master: new download Amber script (338d1e4a9)

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Mon, 17 Apr 2017 13:56:29 -0700

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[git/cctbx] master: Update sharpening to allow half-dataset sharpening (3c1cf5c33)

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Mon, 17 Apr 2017 13:25:18 -0600

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[git/cctbx] master: residual fix-ups after switching to new CC (e01da3f4f)

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Sun, 16 Apr 2017 20:20:39 -0700

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[git/cctbx] master: Use resolution dependent radius for CC. Report CCmask, CCpeak, CCvolume. (7b5a3c0fa)

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Sun, 16 Apr 2017 19:56:34 -0700

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[git/cctbx] master: Cleaner and less buggish (a47774ccf)

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Sun, 16 Apr 2017 14:02:53 -0700

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[git/cctbx] master: Allow ncs operators for helical symmetry to start/end at identity (553b69616)

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Sat, 15 Apr 2017 10:51:24 -0600

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[git/cctbx] master: DIALS additions, run recovery and assorted bugfixes (2831a1bfc)

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Fri, 14 Apr 2017 16:18:13 -0700

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[git/cctbx] master: Remove unused parameters. Define expert_level. (b1d3abeaa)

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Fri, 14 Apr 2017 15:34:49 -0700

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[git/cctbx] master: weight in MI (1312c6da7)

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[git/cctbx] master: Fixing omega in MI (2ab41186b)

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[git/cctbx] master: re-enable overall scale update (edb0d402e)

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Fri, 14 Apr 2017 15:23:04 -0700

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[git/cctbx] master: bug fix: init values are shifts not actual bs (1cbc2223d)

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Fri, 14 Apr 2017 14:05:48 -0700

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[git/cctbx] master: Allow masking of map in auto_sharpen and segment_and_split (5135500c4)

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Fri, 14 Apr 2017 14:48:43 -0600

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[git/cctbx] master: Improved B-factor refinement against cryo-EM map. (6e1b88523)

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[git/cctbx] master: Allow user to set value outside mask to mean inside mask in map_box (376f68c3d)

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[git/cctbx] master: minor printout changes (1696abe30)

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[git/cctbx] master: Use masked map in model-map CC in auto_sharpening (a90f1af2c)

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Fri, 14 Apr 2017 13:41:05 -0600

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[git/cctbx] master: Fix box_map use in segment_and_split_map (7023f5d29)

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[git/cctbx] master: Fixes to the external plugins testing (e1a2d52ce)

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[git/cctbx] master: Allow definition of center of box for sharpening (a9959122d)

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Jenkins 5b cctbx MacOS build 1129 Fixed

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[git/cctbx] master: Allow pdb_inp to come in call to auto_sharpen (001854326)

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Jenkins 5b cctbx MacOS build 1128 Unstable

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[git/cctbx] master: 10x faster this way (1f42f6434)

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[git/cctbx] master: Note for others and more accurate rotation (78a252dc4)

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[git/cctbx] master: Added flux and transmission to beam model and set it in FormatCBFMini* classes. If this is present in other format classes, we can also set it there (eab780825)

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[git/cctbx] master: bugfix (4b92e4cfa)

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[git/cctbx] master: Move to better place, add doc string, rename (e464c1d58)

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Jenkins 5a cctbx Tests build 4170 Fixed

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[git/cctbx] master: fix typo (7f8d67db6)

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Jenkins 5a cctbx Tests build 4169 Unstable

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[git/cctbx] master: stop gap for poor ss based selections (de07b841e)

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[git/cctbx] master: stop gap for poor ss based selections (e626d9a43)

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[git/cctbx] master: dxtbx: fix dynamic shadowing for DLS I04 SmarGon (69260305f)

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Thu, 13 Apr 2017 12:04:22 +0100

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[git/cctbx] master: Fixed bug in gain and allow gain set from panel.get_gain (85951961a)

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Jenkins 5b cctbx MacOS build 1121 Fixed

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Jenkins 5a cctbx Tests build 4165 Fixed

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[git/cctbx] master: Re-enabled old tests, but check against Boost version first (6183ad6f0)

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Jenkins 5a cctbx Tests build 4164 Still Unstable

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[git/cctbx] master: Reusing asc, ideal_res_dict (aca57cf1e)

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[git/cctbx] master: Implementation of dihedral angle in Python. 2.5x slower than cpp (cc1ae70de)

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Jenkins 5a cctbx Tests build 4163 Still Unstable

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[git/cctbx] master: Remove raw pointers. Developers, please do not use "new" and "delete" to manage heap memory in C++. Use standard library containers with built-in memory management. (4f1a664e8)

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Jenkins 5b cctbx MacOS build 1120 Unstable

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Jenkins 5a cctbx Tests build 4162 Unstable

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[git/cctbx] master: Updated random numbers in tests for upgrade to Boost 1.56 (18b7ee033)

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[git/cctbx] master: Fix call from auto-sharpen (e4433d88e)

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[git/cctbx] master: minor printout change (4fab9293e)

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[git/cctbx] master: extracting libtiff4.0.6x64.zip or libtiff4.0.6x32.zip during base step on Windows (03e6a64ca)

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Wed, 12 Apr 2017 15:08:39 +0100

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[git/cctbx] master: Location of include and lib directories for libtiff on Windows. Tidy up dynamically allocated array (8546d4a4e)

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Jenkins 5a cctbx Tests build 4157 Fixed

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[git/cctbx] master: Fixed tests where dials isnt defined (2e0a6fdc5)

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[git/cctbx] master: Removing problematic file... again (sorry) (6142928c5)

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Jenkins 5a cctbx Tests build 4154 Still unstable

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[git/cctbx] master: Remove extra dash from -Werror flag (aa235db58)

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Jenkins 5a cctbx Tests build 4153 Still Failing

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[git/cctbx] master: Base: moved libtiff dependency to be general instead of just for Linux (63d9e4c01)

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Jenkins 5a cctbx Tests build 4152 Still Failing

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[git/cctbx] master: test (6cf1be7ba)

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Jenkins 5a cctbx Tests build 4151 Still Failing

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[git/cctbx] master: target free minimization (13e33d593)

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Jenkins 5a cctbx Tests build 4150 Failure

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[git/cctbx] master: avoid --Werror=vla on Centos5 where old compiler does not support it (a6abbe9e4)

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Tue, 11 Apr 2017 20:45:03 +0100

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[git/cctbx] master: Do not allow non-portable extension to C++ for allocating array dynamically. (8b3cd7e0d)

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Tue, 11 Apr 2017 19:09:08 +0100

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[git/cctbx] master: Attempted fix for runtime error on build machine (498f144be)

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Jenkins 5a cctbx Tests build 4147 Unstable

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[git/cctbx] master: Fix compile error (ee061dbec)

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Jenkins 5a cctbx Tests build 4146 Failure

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[git/cctbx] master: Added an IncorrectFormatError class that is raised inside the format __init__ function rather than a plain assertion. Need to change exception handling to ensure we're not masking stuff (6beeb1f1c)

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Tue, 11 Apr 2017 14:56:15 +0100

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[git/cctbx] master: Added readers for cbf, smv, tiff + tests (902c3d90c)

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[git/cctbx] master: Added TIFF reader class (25d26996f)

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[git/cctbx] master: Replacing illegal C++ code with proper dynamic array allocation. (a31eb2bf0)

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[git/cctbx] master: added comment (74d8783fc)

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[git/cctbx] master: Set up striping (or chunking) of an experiment. (f7c2b9e4a)

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[git/cctbx] master: Added access to rotamer frequencies (with test) (de06595ee)

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[git/cctbx] master: Option to perform minimization using gradients only (without the need of the target function value). This is contributed by Min Zheng from Q|R team: www.qrefine.com . (c9b391151)

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[git/cctbx] master: SpinCtrl should return integers (to avoid flooring) when digits == 0. (f86c14a7d)

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[git/cctbx] master: Skipping GM if no SS elements were idealized. (6223e9f4e)

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[git/cctbx] master: Allow map_file in minimize_chain.py (f29a42f1b)

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[git/cctbx] master: allow easy call to auto_sharpen (921f8fdcd)

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[git/cctbx] master: Update chain_comparison to default using crystal symmetry if sg is not p1 (d39330113)

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[git/cctbx] master: format class for I19-2 detector S/N 3-0104 with support for dynamic shadow masking from diamond anvil cell (67393b622)

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[git/cctbx] master: dxtbx: remove FormatCBFFullPilatusDLSI19.py as it won't understand anything (understand method always returns False) (137c2e082)

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[git/cctbx] master: Update chain_comparison to default to use_crystal_symmetry for all but P1 (5a705f772)

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[git/cctbx] master: Optimization additions (31d758e66)

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[git/cctbx] master: commit notes (6c494c2ad)

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Jenkins 5b cctbx MacOS build 1099 Fixed

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[git/cctbx] master: Fix typo in recent check-in (742e5d8c7)

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[git/cctbx] master: Update model-based sharpening to use model region only (1b5eb67a0)

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Jenkins 5b cctbx MacOS build 1098 Unstable

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[git/cctbx] master: ssize_t is declared with typedef in HDF5-1.8.16\include\H5public.h so don't define it here (34266c58c)

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[git/cctbx] master: Windows bug fix for broken authenticated build (b8a9b5757)

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[git/cctbx] master: Bug fix: Allow anonymous build of CCTBX on Windows (cf73dae07)

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[git/cctbx] master: Python <=2.7.8 compatibility (c898a7346)

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[git/cctbx] master: Next wave of SF4 tests :metal: (4a198ac56)

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[git/cctbx] master: Do not attempt to update repositories when not on a branch. While a developer should never be in such a state this may be the default for testing environments such as Jenkins. (398e38d75)

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[git/cctbx] master: Tests for the new metal coordination code (5fe86b8bd)

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[git/cctbx] master: Enable clustering directly from DIALS objects. (ab0186b3f)

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[git/cctbx] master: Windows: use the unistd.h file from cbflib_adaptbx since VC++9.0 hasn't got one (2bbd78f09)

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Jenkins 5a cctbx Tests build 4113 Fixed

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[git/cctbx] master: Removed std::copy_n (c++11 function) due to build failure (20b225907)

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Jenkins 5a cctbx Tests build 4112 Failure

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[git/cctbx] master: Added a first commit of an image reader c++ base class with a class for reading SMV .img files (2f3d9d413)

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[git/cctbx] master: Add recursive git clone. (bc70320b9)

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[git/cctbx] master: fixed coordination is None bug (677ea618a)

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Jenkins 5a cctbx Tests build 4107 Fixed

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[git/cctbx] master: Move the clustering command line tools to clustering/command_line (61071a745)

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[git/cctbx] master: Move the clustering command_line tools to clustering/command_line (954f91378)

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[git/cctbx] master: ADSCImage defaults to built-in open method when not otherwise instructed by dxtbx.format (a03ca17cb)

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[git/cctbx] master: Fixing target values and test. (c3cf70acc)

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[git/cctbx] master: Fixing and extending more tests. (45ac2cac1)

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[git/cctbx] master: Adding angle restraints for hydrogen bonds in alpha helices. Fixing tests. (2e49d771a)

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[git/cctbx] master: Show angles in pymol format. Fixes for correct work with alternative conformations, insertion codes, empty chain ids. (793d33732)

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Jenkins 5a cctbx Tests build 4104 Unstable

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[git/cctbx] master: Modify the detectorbase class for all images in the SMV family so that the open_file() method supports bz2 compression. Fixes dials_regression test.py. Could easily be extended to the other formats. (5bb26d19b)

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[git/cctbx] master: Merge pull request #22 from weninc/fix-hdf5 (0360700c8)

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[git/cctbx] master: Resolve symbolic links when tar archiving boost_hot before copying to Windows PCs (d31d8af99)

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[git/cctbx] master: more qrefine stuff (82edc9acb)

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[git/cctbx] master: Merge branch 'metal_coordination_library' (160d00653)

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[git/cctbx] master: whitespace error? (8a1ce5459)

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[git/cctbx] master: Stub for Q|R builder :cn: (02c9dcd8f)

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[git/cctbx] master: include timings in output (d3ea6e8da)

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[git/cctbx] master: Added F3S (c98c54f11)

CCTBX Commit via DLS Jenkins

Tue, 4 Apr 2017 06:32:43 -0700

694 lines

[git/cctbx] master: Metal Coordination Library - SF4 (fa872e0ce)

CCTBX Commit via DLS Jenkins

Tue, 4 Apr 2017 06:32:42 -0700

822 lines

[git/cctbx] master: Update oscillation starting angle if image range is changed (c210427dc)

CCTBX Commit via DLS Jenkins

Tue, 4 Apr 2017 13:24:54 +0100

83 lines

[git/cctbx] master: Improve readability of cluster.unit_cell output. (fefc0c726)

CCTBX Commit via DLS Jenkins

Mon, 3 Apr 2017 17:43:05 -0700

221 lines

[git/cctbx] master: move cbf.h outside extern C (8e172c921)

CCTBX Commit via DLS Jenkins

Mon, 3 Apr 2017 12:31:45 -0700

86 lines

[git/cctbx] master: Join creation of hbond, angle and planarity restraints in NA basepair SS to save 30% of runtime. (d299712d3)

CCTBX Commit via DLS Jenkins

Mon, 3 Apr 2017 11:34:49 -0700

780 lines

[git/cctbx] master: More informative runtime stats (7e6e3d950)

CCTBX Commit via DLS Jenkins

Mon, 3 Apr 2017 11:03:51 -0700

2304 lines

[git/cctbx] master: Merge pull request #21 from weninc/weninc-anaconda (c161c60ea)

CCTBX Commit via DLS Jenkins

Mon, 3 Apr 2017 10:33:26 -0700

54 lines

[git/cctbx] master: modify dxtbx_lib_paths for anaconda (67aae7267)

CCTBX Commit via DLS Jenkins

Sun, 2 Apr 2017 23:10:26 -0700

77 lines

[git/cctbx] master: minor fix in find_ss_from_ca (e3624985d)

CCTBX Commit via DLS Jenkins

Sat, 1 Apr 2017 18:25:45 -0600

83 lines

[git/cctbx] master: minor typo (f8ffeaf73)

CCTBX Commit via DLS Jenkins

Sat, 1 Apr 2017 10:40:59 -0600

77 lines

[git/cctbx] master: Halt bootstrap if git pull fails due to local edits. (ff4d2ebe2)

CCTBX Commit via DLS Jenkins

Fri, 31 Mar 2017 16:09:11 -0700

100 lines

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