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January 2018


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[git/cctbx] master: More commenting out (46cf5f5e7)

CCTBX commit

Wed, 31 Jan 2018 13:59:29 -0800

192 lines

[git/cctbx] master: Commenting out functionality realted to creating iotbx.ncs.input object using transform_info, rotations, translations and according tests. This will be removed shortly if no serious concerns raised. (af2f6c53d)

CCTBX commit

Wed, 31 Jan 2018 11:39:37 -0800

2758 lines

[git/cctbx] master: Fix minor typos and stop if cell has changed and we need to extract unique au (80ab5e672)

CCTBX commit

Wed, 31 Jan 2018 09:52:13 -0800

348 lines

[git/cctbx] master: Clean clutter (25e1b0f69)

CCTBX commit

Wed, 31 Jan 2018 15:34:52 +0000

50 lines

[git/cctbx] master: Addition of ScalingModelFactory and Interface to the model. (5b765f4cb)

CCTBX commit

Wed, 31 Jan 2018 14:57:56 +0000

372 lines

[git/cctbx] master: Addition of scaling_model to dxtbx.model. (6a3523a7b)

CCTBX commit

Wed, 31 Jan 2018 14:57:56 +0000

615 lines

[git/cctbx] master: Correcting warning message. (35f186872)

CCTBX commit

Wed, 31 Jan 2018 14:57:56 +0000

72 lines

[git/cctbx] master: Corrections to code and reconfiguring to use python entry points. (b1b19bad7)

CCTBX commit

Wed, 31 Jan 2018 14:57:56 +0000

735 lines

[git/cctbx] master: fix missing import (5db9ec02d)

CCTBX commit

Tue, 30 Jan 2018 18:41:21 -0800

75 lines

[git/cctbx] master: Commenting out iotbx.pdb.input creation from spec. It will be removed shortly if no serious concerns raised. (76f936d0a)

CCTBX commit

Tue, 30 Jan 2018 18:14:14 -0800

1580 lines

[git/cctbx] master: Fix for a cryptic crash when using super-huge cryo-EM maps/models. (c6baf7a64)

CCTBX commit

Tue, 30 Jan 2018 17:41:35 -0800

155 lines

[git/cctbx] master: Removing some unused self.blabla from iotbx.ncs.input. Comments, API streamlining. (61fc6e8ef)

CCTBX commit

Tue, 30 Jan 2018 17:26:07 -0800

544 lines

[git/cctbx] master: More refactoring, annotations. (b5046215c)

CCTBX commit

Tue, 30 Jan 2018 17:25:53 -0800

788 lines

[git/cctbx] master: Remove unused parameters from the function. Adjust tests. (837ee2ff0)

CCTBX commit

Tue, 30 Jan 2018 17:25:53 -0800

327 lines

[git/cctbx] master: Another unused, untested function. (9c983a7d8)

CCTBX commit

Tue, 30 Jan 2018 17:25:53 -0800

320 lines

[git/cctbx] master: Commenting out unused and untested code for now to see if any of Tom's tools are dependent. Removing later. (88b8d0347)

CCTBX commit

Tue, 30 Jan 2018 17:25:52 -0800

770 lines

[git/cctbx] master: DataManager and CCTBXParser check datatypes: * File parsing in CCTBXParser will check that the DataManager supports that particular datatype * Added "supports" function for checking if DataManager supports a particular datatype * Changed CCTBXParser phil file parsing order from alphabetically ascending to order from command-line * CCTBXParser shows final PHIL parameters before starting job * mmtbx.prepare_pdb_deposition program class defines desired datatypes (a996b5715)

CCTBX commit

Tue, 30 Jan 2018 16:25:38 -0800

412 lines

[git/cctbx] master: The whole point of parameter's default value is that function can produce meaninful result with them. In all other cases they should not be defined so developers would not be mislead by them. (c5c1b5a4e)

CCTBX commit

Tue, 30 Jan 2018 15:31:41 -0800

84 lines

[git/cctbx] master: set maximum size for resolve map (5ead267f9)

CCTBX commit

Tue, 30 Jan 2018 16:11:15 -0700

160 lines

[git/cctbx] master: clean clutter (7364f74e4)

CCTBX commit

Tue, 30 Jan 2018 14:36:10 -0800

116 lines

Jenkins 5a cctbx Tests build 5859 Fixed

DLS Jenkins

Tue, 30 Jan 2018 22:10:05 +0000

37 lines

[git/cctbx] master: fix typo (69888d372)

CCTBX commit

Tue, 30 Jan 2018 14:06:53 -0800

74 lines

Jenkins 5a cctbx Tests build 5858 Failure

DLS Jenkins

Tue, 30 Jan 2018 22:06:51 +0000

157 lines

[git/cctbx] master: Check on available memory (139c4ae60)

CCTBX commit

Tue, 30 Jan 2018 14:05:05 -0800

274 lines

[git/cctbx] master: mmtbx.prepare_pdb_deposition: * Update to use writing functions in DataManager (a66321f0c)

CCTBX commit

Tue, 30 Jan 2018 13:31:42 -0800

131 lines

[git/cctbx] master: Clean clutter (51f0dd0b1)

CCTBX commit

Tue, 30 Jan 2018 13:26:03 -0800

77 lines

[git/cctbx] master: DataManager: * Added functionality for writing files (384fa7f23)

CCTBX commit

Tue, 30 Jan 2018 13:25:05 -0800

323 lines

[git/cctbx] master: CCTBXParser: * Added support for datatypes from ProgramTemplate (ade5c0ea7)

CCTBX commit

Tue, 30 Jan 2018 11:10:33 -0800

79 lines

[git/cctbx] master: ProgramTemplate: * Added class variable for datatypes * Allows developer to choose the kinds of files that the program expects (59be217ca)

CCTBX commit

Tue, 30 Jan 2018 11:08:46 -0800

83 lines

[git/cctbx] master: DataManager: * Made more modular * DataManager class is dynamically generated based on desired datatypes (4fa9a142a)

CCTBX commit

Tue, 30 Jan 2018 10:58:52 -0800

1892 lines

[git/cctbx] master: use less memory and fix minor typo (7c7ce247d)

CCTBX commit

Mon, 29 Jan 2018 20:06:55 -0800

374 lines

[git/cctbx] master: clean clutter (70dbb2f79)

CCTBX commit

Mon, 29 Jan 2018 18:41:41 -0700

85 lines

[git/cctbx] master: import (cd6d70ae1)

CCTBX commit

Mon, 29 Jan 2018 17:38:48 -0800

70 lines

[git/cctbx] master: Actually removing commented out functions (bf00566c8)

CCTBX commit

Mon, 29 Jan 2018 17:26:16 -0800

209 lines

[git/cctbx] master: More cleanup (4fa247cfc)

CCTBX commit

Mon, 29 Jan 2018 17:21:52 -0800

309 lines

[git/cctbx] master: Move selection facility to def select of ncs group. Move and adjust test. Now select should keep size of master and copy selections the same in addition to renumbering iseqs properly. (572993c87)

CCTBX commit

Mon, 29 Jan 2018 17:21:52 -0800

689 lines

[git/cctbx] master: Allow cutting out part of big structures (87b0f641e)

CCTBX commit

Mon, 29 Jan 2018 16:56:09 -0800

2442 lines

[git/cctbx] master: libtbx.find_unused_imports_crude (076f45bd5)

CCTBX commit

Mon, 29 Jan 2018 15:46:55 -0800

74 lines

[git/cctbx] master: Refactoring to improve efficeintcy. Mtrige: show statis using original and maksed maps. Possibly brakes Mtriage GUI. (232666d36)

CCTBX commit

Mon, 29 Jan 2018 15:30:11 -0800

2590 lines

[git/cctbx] master: preserving central location of hashlib usage and fixing tests that were broken by warning (82eafaab1)

CCTBX commit

Mon, 29 Jan 2018 12:29:31 -0800

78 lines

[git/cctbx] master: Fixed output of sweep diff (7598867a6)

CCTBX commit

Mon, 29 Jan 2018 16:35:15 +0000

280 lines

[git/cctbx] master: Add a method to mark an image to exclude from processing in the imageset (f948784d3)

CCTBX commit

Mon, 29 Jan 2018 14:57:25 +0000

304 lines

[git/cctbx] master: deprecate Python <2.5 compatibility layer (68d5b7c41)

CCTBX commit

Mon, 29 Jan 2018 11:02:25 +0000

147 lines

[git/cctbx] master: minor printout change (bfe9c4a48)

CCTBX commit

Sat, 27 Jan 2018 08:00:00 -0800

110 lines

[git/cctbx] master: cleanup (add787943)

CCTBX commit

Fri, 26 Jan 2018 18:06:16 -0800

215 lines

[git/cctbx] master: More moving from ncs_utils. Separated new function make_nth_copy_master for group. (3a30c88bc)

CCTBX commit

Fri, 26 Jan 2018 18:06:16 -0800

244 lines

[git/cctbx] master: Rearrange. Add xyz for all results. Adapt tests. (84c1167f1)

CCTBX commit

Fri, 26 Jan 2018 16:54:41 -0800

500 lines

[git/cctbx] master: addresses cctbxbb thread. iotbx/detectors is the only subpackage that cares about dxtbx (5f50c1aae)

CCTBX commit

Fri, 26 Jan 2018 15:17:04 -0800

71 lines

[git/cctbx] master: small corrections (0f8430634)

CCTBX commit

Fri, 26 Jan 2018 12:23:32 -0800

114 lines

[git/cctbx] master: DataManager: * Added functionality for trying to load a file if it is not already being managed (f9d0f57a1)

CCTBX commit

Fri, 26 Jan 2018 10:19:38 -0800

179 lines

[git/cctbx] master: Grad buttons work in IOTA file list control (25b292829)

CCTBX commit

Thu, 25 Jan 2018 15:10:10 -0800

218 lines

[git/cctbx] master: Image tracker: chart selector visible again (788876fec)

CCTBX commit

Thu, 25 Jan 2018 14:06:03 -0800

209 lines

[git/cctbx] master: Image tracker: can now stop spotfinding and re-start w/ new folder (9e4838022)

CCTBX commit

Thu, 25 Jan 2018 13:45:24 -0800

653 lines

[git/cctbx] master: DataManager: * Reverting 1f13df3e165faeac263b5fa92c14ddb1557e5f0d * "add" function already sets default if necessary (752862bb5)

CCTBX commit

Thu, 25 Jan 2018 11:24:38 -0800

107 lines

[git/cctbx] master: Bugfix for builders where xfel is not configured, such as labelit (48717e409)

CCTBX commit

Thu, 25 Jan 2018 09:33:29 -0800

116 lines

[git/cctbx] master: Fix Crystal subclass “is_similar_to” warnings (b485bf2cd)

CCTBX commit

Thu, 25 Jan 2018 16:58:48 +0000

334 lines

[git/cctbx] master: fixes for DLS I03 full CBF format class (a328ceb1b)

CCTBX commit

Thu, 25 Jan 2018 15:02:18 +0000

101 lines

[git/cctbx] master: Alter copy-construction of dxtbx::model::Detector (d79b2afb8)

CCTBX commit

Thu, 25 Jan 2018 14:17:36 +0000

244 lines

[git/cctbx] master: Avoiding unnecessary writing: Converting images to double (3a7b056fc)

CCTBX commit

Thu, 25 Jan 2018 14:15:46 +0000

108 lines

[git/cctbx] master: don't use root logger (318b414fd)

CCTBX commit

Thu, 25 Jan 2018 12:53:27 +0000

447 lines

[git/cctbx] master: further code cleanup (99ffd3c3d)

CCTBX commit

Wed, 24 Jan 2018 18:19:40 -0800

73 lines

[git/cctbx] master: code clean-up (e67061d1d)

CCTBX commit

Wed, 24 Jan 2018 17:41:24 -0800

205 lines

[git/cctbx] master: Step 2: closer to proper OOP in NCS: moving functions out of ncs_utils into class_ncs_restraints_group_list. Also moving appropriate tests to a separate file. Adopting changes across the codebase. Removing some unused functions and tests. (31132bcf8)

CCTBX commit

Wed, 24 Jan 2018 17:25:58 -0800

1139 lines

[git/cctbx] master: New SIMTBX GUI; not yet ready for prime-time (a79d0d9b1)

CCTBX commit

Wed, 24 Jan 2018 17:24:45 -0800

91 lines

[git/cctbx] master: minor bug fixes, mostly for GUI (52be221bf)

CCTBX commit

Wed, 24 Jan 2018 17:24:45 -0800

785 lines

[git/cctbx] master: clean clutter (8197ab43c)

CCTBX commit

Wed, 24 Jan 2018 16:28:53 -0800

115 lines

[git/cctbx] master: Annotate functions in ncs_utils (644ca04f1)

CCTBX commit

Wed, 24 Jan 2018 15:56:24 -0800

540 lines

[git/cctbx] master: Step closer to proper OOP in NCS: moving functions out of ncs_utils into class_ncs_restraints_group_list. Also moving appropriate tests to a separate file. Adopting changes across the codebase. Removing some unused functions and tests. (4b71604fc)

CCTBX commit

Wed, 24 Jan 2018 15:56:24 -0800

96 lines

[git/cctbx] master: DataManager: * Set initial default when loading from phil (1f13df3e1)

CCTBX commit

Wed, 24 Jan 2018 13:35:33 -0800

129 lines

[git/cctbx] master: Flag model with neutron_distance flag but with X-ray X-H distances in model. (b21fc8622)

CCTBX commit

Wed, 24 Jan 2018 11:48:42 -0800

670 lines

[git/cctbx] master: mtz.object.change_basis_in_place(): update umat (255cea644)

CCTBX commit

Wed, 24 Jan 2018 17:46:28 +0000

311 lines

[git/cctbx] master: Bug fix: * Import statement within function caused isses with running the program as a detached process (9f7098014)

CCTBX commit

Wed, 24 Jan 2018 09:32:23 -0800

89 lines

[git/cctbx] master: clean clutter (f50cad10d)

CCTBX commit

Wed, 24 Jan 2018 15:43:07 +0000

477 lines

[git/cctbx] master: remove attributes from files that don't exist anymore (f28dfa856)

CCTBX commit

Wed, 24 Jan 2018 15:29:35 +0000

832 lines

[git/cctbx] master: remove reduce() from dxtbx (df579f754)

CCTBX commit

Wed, 24 Jan 2018 15:24:48 +0000

389 lines

[git/cctbx] master: mmtbx.prepare_pdb_deposition: * Added phil scope for output * Updated validate function for changes in DataManager (2f3893496)

CCTBX commit

Tue, 23 Jan 2018 17:01:33 -0800

178 lines

[git/cctbx] master: DataManager: * Fix comment (6a643c697)

CCTBX commit

Tue, 23 Jan 2018 16:49:35 -0800

79 lines

[git/cctbx] master: CCTBXParser: * Added command-line flags for outputting different levels of PHIL parameters * Added functionality for loading PHIL parameters from files * Works with DataManager phil scope (2df2be0c3)

CCTBX commit

Tue, 23 Jan 2018 16:44:21 -0800

420 lines

[git/cctbx] master: DataManager: * Changed default for raise_sorry from True to False * Preserve file order when loading from phil (c2fae3249)

CCTBX commit

Tue, 23 Jan 2018 16:37:59 -0800

216 lines

[git/cctbx] master: Corrected with python convention, thanks Markus. Warning still stays for those not familiar with it. (b7ac636dd)

CCTBX commit

Tue, 23 Jan 2018 16:21:43 -0800

123 lines

[git/cctbx] master: Fix xtc_process when reading multiple runs. (b5200ba8c)

CCTBX commit

Tue, 23 Jan 2018 15:43:49 -0800

102 lines

[git/cctbx] master: Fixes for xtc_process and datasource (2a1692d06)

CCTBX commit

Tue, 23 Jan 2018 15:35:45 -0800

224 lines

[git/cctbx] master: comment (26658db0b)

CCTBX commit

Tue, 23 Jan 2018 15:24:39 -0800

81 lines

[git/cctbx] master: Streamlining class structure here. Get rid of operators class. (c5687994f)

CCTBX commit

Tue, 23 Jan 2018 15:19:49 -0800

926 lines

[git/cctbx] master: Taking global parameters out of group (3ea6737c6)

CCTBX commit

Tue, 23 Jan 2018 15:19:49 -0800

664 lines

[git/cctbx] master: More refactoring: removing groups class (1ddf11474)

CCTBX commit

Tue, 23 Jan 2018 15:19:49 -0800

378 lines

[git/cctbx] master: Renaming files so names reflect their functionality (ea907cc5f)

CCTBX commit

Tue, 23 Jan 2018 15:19:49 -0800

80 lines

[git/cctbx] master: DataManager: * Use master phil in load_phil_scope function (c35cc0123)

CCTBX commit

Tue, 23 Jan 2018 14:13:50 -0800

133 lines

[git/cctbx] master: DataManager: * Added functions for exporting and loading from a PHIL file * Added function for processing files based on datatype (247546b90)

CCTBX commit

Tue, 23 Jan 2018 14:00:20 -0800

621 lines

[git/cctbx] master: CCTBXParser: * added output for unrecognized files (2365e1d3e)

CCTBX commit

Tue, 23 Jan 2018 11:24:53 -0800

112 lines

[git/cctbx] master: remove libtbx/pexpect.py (26c36d273)

CCTBX commit

Tue, 23 Jan 2018 18:26:20 +0000

56 lines

[git/cctbx] master: more Python3 compatibility changes, this time in libtbx (b1bf42938)

CCTBX commit

Tue, 23 Jan 2018 16:58:11 +0000

1974 lines

[git/cctbx] master: random Python3 compatibility changes (bd6e50c56)

CCTBX commit

Tue, 23 Jan 2018 16:25:36 +0000

251 lines

[git/cctbx] master: clean clutter (69218de95)

CCTBX commit

Tue, 23 Jan 2018 07:31:39 -0800

93 lines

[git/cctbx] master: Add basic functionality to Beam to record a scan-varying s0 vector (3fbb1745a)

CCTBX commit

Tue, 23 Jan 2018 15:10:50 +0000

472 lines

[git/cctbx] master: extend operator== and is_similar_to checks to test scan-varying s0 (db6d1e172)

CCTBX commit

Tue, 23 Jan 2018 15:10:50 +0000

316 lines

[git/cctbx] master: Support conversion of scan-varying beam to/from dict (ee77ef316)

CCTBX commit

Tue, 23 Jan 2018 15:10:50 +0000

221 lines

[git/cctbx] master: Add pickle support to scan-varying beam using the getstate, setstate and getstate_manages_dict methods of BeamPickleSuite (c0a673c8a)

CCTBX commit

Tue, 23 Jan 2018 15:10:50 +0000

141 lines

[git/cctbx] master: change to_dict/from_dict for scan-varying Beam to use boost python list and tuple instead of array of vec3 so that the dict representation can be serialised to json. Move the definitions to make use of a function defined earlier in the file. (0c5fdffc1)

CCTBX commit

Tue, 23 Jan 2018 15:10:50 +0000

408 lines

[git/cctbx] master: Python 2->3 compatibility changes (b196e434a)

CCTBX commit

Tue, 23 Jan 2018 14:18:42 +0000

160 lines

[git/cctbx] master: Allow return of auto_sharpen map in original position with return_shifted_map=True (b6d0f82e3)

CCTBX commit

Tue, 23 Jan 2018 06:14:44 -0800

165 lines

Jenkins 5a cctbx Tests build 5787 Fixed

DLS Jenkins

Tue, 23 Jan 2018 11:32:40 +0000

37 lines

[git/cctbx] master: remove subprocess_with_fixes (a00221494)

CCTBX commit

Tue, 23 Jan 2018 11:23:23 +0000

123 lines

Jenkins 5a cctbx Tests build 5786 Still Failing

DLS Jenkins

Tue, 23 Jan 2018 09:27:47 +0000

172 lines

[git/cctbx] master: Migrate annlib_adaptbx to github. (0c59e52eb)

CCTBX commit

Tue, 23 Jan 2018 09:25:59 +0000

141 lines

Jenkins 5a cctbx Tests build 5785 Failure

DLS Jenkins

Tue, 23 Jan 2018 08:45:51 +0000

168 lines

[git/cctbx] master: Revert "Revert "Python3 syntaxification, #80"" (0d77a8396)

CCTBX commit

Tue, 23 Jan 2018 08:31:36 +0000

2074 lines

[git/cctbx] master: actually remove refactored functionality (0835b9a50)

CCTBX commit

Mon, 22 Jan 2018 18:46:57 -0800

2234 lines

[git/cctbx] master: clutter, import duplication (66738a062)

CCTBX commit

Mon, 22 Jan 2018 17:52:10 -0800

69 lines

[git/cctbx] master: moving ncs params to mmtbx from phenix.refine (9bacd1419)

CCTBX commit

Mon, 22 Jan 2018 17:37:31 -0800

260 lines

[git/cctbx] master: CCTBXParser: * added option for writing non-default PHIL parameters * all PHIL parameters written * minor change to log output (cabd43eae)

CCTBX commit

Mon, 22 Jan 2018 16:40:49 -0800

260 lines

[git/cctbx] master: Meaningful name for ncs constraints everywhere (9e09f1e5d)

CCTBX commit

Mon, 22 Jan 2018 15:38:39 -0800

527 lines

[git/cctbx] master: Angle outliers involving hydrogens. With test. (ef9ee5f2d)

CCTBX commit

Mon, 22 Jan 2018 15:09:34 -0800

581 lines

[git/cctbx] master: Analyse bond outliers. With tests. (c8dce84ef)

CCTBX commit

Mon, 22 Jan 2018 14:27:39 -0800

1073 lines

[git/cctbx] master: Change printout only (5f070560f)

CCTBX commit

Mon, 22 Jan 2018 13:26:13 -0800

84 lines

[git/cctbx] master: DivCon minimisation bugfix (dde0e9ac3)

CCTBX commit

Mon, 22 Jan 2018 13:21:03 -0800

79 lines

[git/cctbx] master: Removing untested and unused functionality (ncs_averaging while outputting maps). (4bf39a5a8)

CCTBX commit

Mon, 22 Jan 2018 12:41:33 -0800

527 lines

[git/cctbx] master: Catching None and raising Sorry instead of traceback. (c460b36a3)

CCTBX commit

Mon, 22 Jan 2018 10:44:00 -0800

92 lines

[git/cctbx] master: fix minor bug failing to set n_residues (bb9cca421)

CCTBX commit

Mon, 22 Jan 2018 10:43:34 -0800

116 lines

[git/cctbx] master: minor printout changes (02e6f3938)

CCTBX commit

Mon, 22 Jan 2018 09:20:40 -0800

91 lines

[git/cctbx] master: clean clutter (6584bfc6c)

CCTBX commit

Sun, 21 Jan 2018 19:21:26 -0800

48 lines

[git/cctbx] master: Automatically identify solvent fraction (ed55f2945)

CCTBX commit

Sun, 21 Jan 2018 19:20:50 -0800

91 lines

[git/cctbx] master: Automatically identify solvent fraction (26aa71864)

CCTBX commit

Sun, 21 Jan 2018 19:03:50 -0800

690 lines

[git/cctbx] master: clean clutter (a5ce9d9ee)

CCTBX commit

Sat, 20 Jan 2018 11:57:46 -0800

48 lines

[git/cctbx] master: Fix minor bug in chain_comparison where RNA residues could be included when trying to find suitable chain to start NCS matching for protein chains (8a9ab4cda)

CCTBX commit

Sat, 20 Jan 2018 11:08:13 -0800

135 lines

[git/cctbx] master: trailing empty lines (f2e36d275)

CCTBX commit

Fri, 19 Jan 2018 20:59:59 -0800

69 lines

[git/cctbx] master: initial reorganisation of cartesian ncs into manager class and fixing tests (cf5287bb5)

CCTBX commit

Fri, 19 Jan 2018 19:17:11 -0800

1623 lines

[git/cctbx] master: Restoring truncate_to_polyala in pdbtools and adding truncate_to_polygly (20b8af01b)

CCTBX commit

Fri, 19 Jan 2018 18:22:04 -0800

237 lines

[git/cctbx] master: mmtbx.prepare_pdb_deposition: * Reorganized to use new CCTBXParser and program template format * Some extra code for testing citations (will be removed in the future) (d9d281d72)

CCTBX commit

Fri, 19 Jan 2018 16:25:21 -0800

546 lines

[git/cctbx] master: Program template: * Reorganized and added class variables for program-specific information * Compatible with CCTBXParser command-line parser (37b23e39c)

CCTBX commit

Fri, 19 Jan 2018 16:22:34 -0800

133 lines

[git/cctbx] master: Command-line parser: * Added new command-line parser based on argparse * CCTBXParser class contains standard command-line flags and behaviors for processing command-line arguments (82a20c4cc)

CCTBX commit

Fri, 19 Jan 2018 16:19:42 -0800

851 lines

[git/cctbx] master: better than clean clutter (4d27cbaa9)

CCTBX commit

Fri, 19 Jan 2018 20:14:01 +0000

66 lines

[git/cctbx] master: Clean clutter (870a03211)

CCTBX commit

Fri, 19 Jan 2018 11:58:36 -0800

63 lines

[git/cctbx] master: Cleanup. (6912103fc)

CCTBX commit

Fri, 19 Jan 2018 11:06:27 -0800

631 lines

[git/cctbx] master: Some cleanup and more tests. (672bfd012)

CCTBX commit

Fri, 19 Jan 2018 10:26:12 -0800

737 lines

[git/cctbx] master: Data Manager: * Added option for raising Sorry when checking counts (a41bc511e)

CCTBX commit

Fri, 19 Jan 2018 10:25:02 -0800

246 lines

[git/cctbx] master: Data Manager: * Added function for checking counts (8ab8383a7)

CCTBX commit

Fri, 19 Jan 2018 10:08:31 -0800

182 lines

[git/cctbx] master: Enable second half of pytest compatibility layer for dxtbx (e202ccecb)

CCTBX commit

Fri, 19 Jan 2018 11:24:38 +0000

118 lines

Jenkins 5b cctbx MacOS build 1983 Fixed

DLS Jenkins

Fri, 19 Jan 2018 06:53:03 +0000

37 lines

[git/cctbx] master: Allow for more than one material i.e. CdTe; pass forward (9fd81888c)

CCTBX commit

Fri, 19 Jan 2018 06:08:39 +0000

114 lines

[git/cctbx] master: Some cleanup, comments. (5e135dbc8)

CCTBX commit

Thu, 18 Jan 2018 17:07:06 -0800

190 lines

Jenkins 5b cctbx MacOS build 1982 Failure

DLS Jenkins

Fri, 19 Jan 2018 00:21:46 +0000

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[git/cctbx] master: command-line bug fixes (20500b0ca)

CCTBX commit

Thu, 18 Jan 2018 15:53:41 -0800

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[git/cctbx] master: Better parameter name and more tests. (dc97c153c)

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Thu, 18 Jan 2018 15:41:53 -0800

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[git/cctbx] master: fetch_pdb: enable PDB-REDO mirror in command-line tool; clean up some lingering code; (45a2b17fd)

CCTBX commit

Thu, 18 Jan 2018 11:25:38 -0800

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[git/cctbx] master: Add PDB-REDO mirror to fetch function (#118) (2e2c225de)

CCTBX commit

Thu, 18 Jan 2018 10:59:22 -0800

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[git/cctbx] master: added selection keyword residues_within (2c51d3a87)

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Thu, 18 Jan 2018 10:55:55 -0800

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[git/cctbx] master: I wonder what this breaks. (5f998101a)

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Thu, 18 Jan 2018 16:14:19 +0000

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[git/cctbx] master: Enable boost threads by default (954e3985a)

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Thu, 18 Jan 2018 16:10:09 +0000

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[git/cctbx] master: Expose boost classes for crystals with Crystal and base class (e4b9b763d)

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Thu, 18 Jan 2018 10:36:26 +0000

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[git/cctbx] master: Flag case of single H atoms with occ < 1. Add test. (99cd363a4)

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Wed, 17 Jan 2018 16:26:16 -0800

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[git/cctbx] master: More tests. (dcc6b562c)

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Wed, 17 Jan 2018 15:22:53 -0800

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[git/cctbx] master: Create README.md (88844bad3)

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Wed, 17 Jan 2018 13:46:07 -0800

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[git/cctbx] master: Now add tests. (f4506f781)

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Wed, 17 Jan 2018 13:30:02 -0800

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[git/cctbx] master: Add more tests and re-arrange code a bit. (7e9d63c38)

CCTBX commit

Wed, 17 Jan 2018 13:25:58 -0800

372 lines

[git/cctbx] master: Fix typo (44ce27d40)

CCTBX commit

Wed, 17 Jan 2018 11:28:27 -0800

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[git/cctbx] master: Fix minor typo (fcce53d38)

CCTBX commit

Wed, 17 Jan 2018 11:26:26 -0800

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[git/cctbx] master: Allow generation of helical ncs; fix minor bug in map_box (7b0c16591)

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Wed, 17 Jan 2018 11:14:00 -0800

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[git/cctbx] master: Build grm when creating model; add comment. (38a11150d)

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Wed, 17 Jan 2018 09:46:55 -0800

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[git/cctbx] master: Merge pull request #119 from gbunkoczi/master (b3ddc7f2b)

CCTBX commit

Wed, 17 Jan 2018 10:18:49 +0000

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[git/cctbx] master: Bugfix (655ca6c19)

CCTBX commit

Tue, 16 Jan 2018 16:45:08 -0800

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[git/cctbx] master: cleaning clutter and specifying ImportError in FormatXTC when psana is unavailable (8d06ee175)

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Tue, 16 Jan 2018 16:39:50 -0800

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[git/cctbx] master: Merge pull request #109 from cctbx/xtc_format_class (1e8438221)

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Tue, 16 Jan 2018 15:39:07 -0800

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[git/cctbx] master: fixing some indentation issues (06ff3e0b7)

CCTBX commit

Tue, 16 Jan 2018 15:33:43 -0800

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[git/cctbx] master: resolved merge conflict in cspad format class (08d1a0f52)

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Tue, 16 Jan 2018 15:02:30 -0800

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[git/cctbx] master: changes to address code review meeting concerns on 1-16 (8341766b1)

CCTBX commit

Tue, 16 Jan 2018 14:29:21 -0800

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[git/cctbx] master: Restore warnings (29a41b536)

CCTBX commit

Tue, 16 Jan 2018 14:11:32 -0800

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[git/cctbx] master: Unmark ok function, mark couple others with explanation. (913210c70)

CCTBX commit

Tue, 16 Jan 2018 13:28:18 -0800

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[git/cctbx] master: python3 compatibility fixes for libtbx_refresh.py (2e8901caa)

CCTBX commit

Tue, 16 Jan 2018 09:10:04 +0000

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Jenkins 5a cctbx Tests build 5723 Fixed

DLS Jenkins

Tue, 16 Jan 2018 09:05:14 +0000

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[git/cctbx] master: Revert "Python3 syntaxification, #80" (ecd719293)

CCTBX commit

Tue, 16 Jan 2018 08:56:31 +0000

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Jenkins 5a cctbx Tests build 5722 Failure

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Tue, 16 Jan 2018 08:50:55 +0000

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[git/cctbx] master: Python3 syntaxification, #80 (c3d62324b)

CCTBX commit

Tue, 16 Jan 2018 08:49:02 +0000

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[git/cctbx] master: code cleanup (RHEL4 compatibility, exception handling) (c22259356)

CCTBX commit

Tue, 16 Jan 2018 08:38:35 +0000

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[git/cctbx] master: Fix pythonpath for virtualenv setup (ba64a2196)

CCTBX commit

Mon, 15 Jan 2018 12:20:34 +0000

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[git/cctbx] master: Do not compress MacOS .pkg installers (7b724ce6c)

CCTBX commit

Mon, 15 Jan 2018 10:49:01 +0000

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[git/cctbx] master: remove site.py. (916f58878)

CCTBX commit

Mon, 15 Jan 2018 10:44:54 +0000

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[git/cctbx] master: Use 'in' instead of has_key(). In this instance, use get() instead of has_key(). Basically, don't use has_key(). Ever. (8ff51fa3c)

CCTBX commit

Mon, 15 Jan 2018 08:07:22 +0000

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[git/cctbx] master: Update return value of chain_compariso and make runs uniform in form (172892682)

CCTBX commit

Sun, 14 Jan 2018 15:06:18 -0800

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[git/cctbx] master: Clean up method for calculating fraction found so no ratios needed (46663845f)

CCTBX commit

Sun, 14 Jan 2018 08:46:32 -0800

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[git/cctbx] master: Support for python-based dxtbx crystal model is deprecated, use C++ class with Sauter2014 specialization. (cf773e342)

CCTBX commit

Sat, 13 Jan 2018 12:14:25 -0800

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[git/cctbx] master: Support new C++ dxtbx crystal model, Sauter2014 variant. (288400492)

CCTBX commit

Sat, 13 Jan 2018 12:14:25 -0800

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[git/cctbx] master: Better validation of mtz reference, avoid Traceback after hours-long calculation. (c31181fda)

CCTBX commit

Sat, 13 Jan 2018 12:14:24 -0800

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[git/cctbx] master: Please don't rain on my parade - removing verbose warning with prejudice. (7c8553ec0)

CCTBX commit

Sat, 13 Jan 2018 12:14:24 -0800

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[git/cctbx] master: fix minor missing value (edcae41f4)

CCTBX commit

Sat, 13 Jan 2018 11:41:16 -0800

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[git/cctbx] master: clean clutter (7ee764ca5)

CCTBX commit

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[git/cctbx] master: clean clutter (b017b6d41)

CCTBX commit

Sat, 13 Jan 2018 11:17:59 -0800

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[git/cctbx] master: catch duplicate use of same atom; change printout slightly (31149f7a5)

CCTBX commit

Sat, 13 Jan 2018 10:46:24 -0800

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Jenkins 5b cctbx MacOS build 1951 Fixed

DLS Jenkins

Sat, 13 Jan 2018 09:39:27 +0000

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[git/cctbx] master: Moving BIOMT and MTRIX multiplication to the mmtbx.model to better connection with SS multiplication. The procedure to generate new chain ids is revised, now producing all possible 2-char ids. Phenix limitation of only expanding 1-char chain ids is overcomed. Inability to expand MTRIX first and then BIOMT is also fixed. (29ade7ec2)

CCTBX commit

Fri, 12 Jan 2018 19:33:20 -0800

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Jenkins 5b cctbx MacOS build 1950 Failure

DLS Jenkins

Sat, 13 Jan 2018 01:36:06 +0000

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[git/cctbx] master: Citation functionality: Migrate some citation handling code (thanks @natechols, @rjgildea) from Phenix to CCTBX for general consumption (9e74351b9)

CCTBX commit

Fri, 12 Jan 2018 15:54:08 -0800

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[git/cctbx] master: Fix remaining issues with partial derivatives. All analytical derivatives match the finite differences within a half percent for my test case (892318ba5)

CCTBX commit

Fri, 12 Jan 2018 14:19:58 -0800

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[git/cctbx] master: Found a sign error in compute_dI_dp (quotient rule reversal) (7a9568f6f)

CCTBX commit

Fri, 12 Jan 2018 14:19:58 -0800

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[git/cctbx] master: Tidy and add a bunch of comments (de21b3b7e)

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Fri, 12 Jan 2018 14:19:58 -0800

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[git/cctbx] master: Initial commit for error propagation in cxi.merge (c6adda742)

CCTBX commit

Fri, 12 Jan 2018 14:19:58 -0800

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[git/cctbx] master: Additional phil validation for samosa. (c65ae139f)

CCTBX commit

Fri, 12 Jan 2018 14:01:03 -0800

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[git/cctbx] master: redundancy_to_edge should not be a mandatory argument. Moving to kwargs with prejudice. (787d8fbce)

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Fri, 12 Jan 2018 14:01:03 -0800

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[git/cctbx] master: clean clutter (8f4c4129d)

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[git/cctbx] master: Allow ncs in chain_comparison (b82ead63e)

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Fri, 12 Jan 2018 12:18:23 -0800

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[git/cctbx] master: Raise Sorry if user provides model cif instead of restraint cif in table_one. (29657a17d)

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Fri, 12 Jan 2018 11:14:00 -0800

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[git/cctbx] master: drop compatibility code for collections for ancient Python versions (c30c607ca)

CCTBX commit

Fri, 12 Jan 2018 11:51:54 +0000

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[git/cctbx] master: izip_longest() compatibility function not used within libtbx, so remove it. cctbx requires python 2.7+, so will have correct implementation (013a78ad5)

CCTBX commit

Fri, 12 Jan 2018 11:11:58 +0000

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[git/cctbx] master: Python 2.5+ is api_version 1013, so retire old code (f541494c6)

CCTBX commit

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[git/cctbx] master: Python3 syntax compatibility (0dd4eb987)

CCTBX commit

Fri, 12 Jan 2018 11:05:18 +0000

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[git/cctbx] master: no idea what copy_init_args does, but it is used in exactly 1 place so retire it from libtbx (da3fe0d30)

CCTBX commit

Fri, 12 Jan 2018 11:03:18 +0000

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[git/cctbx] master: Fixing blank lines in pdb REMARK (9501b003f)

CCTBX commit

Thu, 11 Jan 2018 16:46:07 -0800

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[git/cctbx] master: fix (dcc42b4e8)

CCTBX commit

Thu, 11 Jan 2018 11:25:11 -0800

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[git/cctbx] master: Do not apply BIOMT if matrices are nonsensical (e651bba4f)

CCTBX commit

Thu, 11 Jan 2018 10:58:15 -0800

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[git/cctbx] master: 2nd attempt to bugfix (191c8ae6f)

CCTBX commit

Thu, 11 Jan 2018 10:13:26 -0800

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Jenkins 5a cctbx Tests build 5691 Fixed

DLS Jenkins

Thu, 11 Jan 2018 16:02:55 +0000

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[git/cctbx] master: return the bug back; previous bugfix brakes a lof of other nonsense. (54a44238a)

CCTBX commit

Thu, 11 Jan 2018 07:57:04 -0800

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Jenkins 5a cctbx Tests build 5690 Unstable

DLS Jenkins

Thu, 11 Jan 2018 15:42:58 +0000

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[git/cctbx] master: output cc into a file (bc5e307ad)

CCTBX commit

Thu, 11 Jan 2018 07:37:32 -0800

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[git/cctbx] master: Bug fix: do not attempt to BIOMT expand if there is nothing to expand. (ba355e705)

CCTBX commit

Thu, 11 Jan 2018 07:37:32 -0800

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[git/cctbx] master: Handling BIOMT in mmtbx.model. With example and tests. (e6ae1d1e5)

CCTBX commit

Wed, 10 Jan 2018 14:45:38 -0800

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[git/cctbx] master: Better failing message indicating that test is failing intentionally. (1c79696d3)

CCTBX commit

Wed, 10 Jan 2018 14:45:38 -0800

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[git/cctbx] master: GUI: Prevent crash when making selections in a model that has alternate conformations (802fbbf0e)

CCTBX commit

Wed, 10 Jan 2018 11:56:31 -0800

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[git/cctbx] master: fix remaining buildbot warning (940c43991)

CCTBX commit

Wed, 10 Jan 2018 16:15:05 +0000

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[git/cctbx] master: Retire pythonpath. (5bfc0e8e2)

CCTBX commit

Wed, 10 Jan 2018 16:13:48 +0000

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Jenkins 5a cctbx Tests build 5684 Fixed

DLS Jenkins

Wed, 10 Jan 2018 16:10:40 +0000

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[git/cctbx] master: Further work for #113: scitbx tests must not live in the scitbx top level directory. (9a06d5f11)

CCTBX commit

Wed, 10 Jan 2018 16:01:16 +0000

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Jenkins 5a cctbx Tests build 5683 Still Unstable

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Jenkins 5a cctbx Tests build 5683 Still Unstable

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Wed, 10 Jan 2018 15:31:48 +0000

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[git/cctbx] master: fix syntax error and missing imports for #113 (44b910f8d)

CCTBX commit

Wed, 10 Jan 2018 15:26:55 +0000

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Jenkins 5a cctbx Tests build 5682 Unstable

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Wed, 10 Jan 2018 15:17:20 +0000

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[git/cctbx] master: missed one import for #113 (94b57e324)

CCTBX commit

Wed, 10 Jan 2018 15:11:54 +0000

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Jenkins 5a cctbx Tests build 5681 Failure

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Wed, 10 Jan 2018 14:55:51 +0000

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[git/cctbx] master: Retire stdlib top level module. (c63f5e720)

CCTBX commit

Wed, 10 Jan 2018 14:54:57 +0000

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[git/cctbx] master: Test for ramalyze and pdb file with several models. Expected to fail. (0118b455a)

CCTBX commit

Tue, 9 Jan 2018 16:06:35 -0800

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[git/cctbx] master: retire unused helper functions numstr7 and real_imag from global namespace (15d28fb21)

CCTBX commit

Tue, 9 Jan 2018 23:54:34 +0000

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[git/cctbx] master: Retire libtbx.subprocess_with_fixes (3ed9636d2)

CCTBX commit

Tue, 9 Jan 2018 23:53:53 +0000

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[git/cctbx] master: Bugfix: proper handling ? in mmCIF for altloc. with tests. (6ea4d9fa1)

CCTBX commit

Tue, 9 Jan 2018 13:51:24 -0800

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[git/cctbx] master: Send more data into the reflection table version of cxi.merge (9fee661d1)

CCTBX commit

Tue, 9 Jan 2018 13:02:29 -0800

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[git/cctbx] master: Bugfix in hierarchy production from mmCIF with several models and one chain. (e3aea0ffa)

CCTBX commit

Tue, 9 Jan 2018 12:06:47 -0800

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[git/cctbx] master: Bugfix. Plus test. (2fdff58e3)

CCTBX commit

Mon, 8 Jan 2018 11:40:07 -0800

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[git/cctbx] master: iotbx/bioinformatics tests (82a41591d)

CCTBX commit

Mon, 8 Jan 2018 13:47:18 +0000

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[git/cctbx] master: mmtbx/geometry tests (0518ad9b0)

CCTBX commit

Mon, 8 Jan 2018 13:41:55 +0000

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[git/cctbx] master: cleanup (1ecfb867a)

CCTBX commit

Fri, 5 Jan 2018 17:55:48 -0800

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[git/cctbx] master: Ramachandran/Rotamer plots: Enable recentering for other points (not just outliers) (a160692ec)

CCTBX commit

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[git/cctbx] master: this print only serves to clutter output (5b7826321)

CCTBX commit

Fri, 5 Jan 2018 14:36:04 +0000

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[git/cctbx] master: remove unused import (fd283bf8a)

CCTBX commit

Fri, 5 Jan 2018 12:02:28 +0000

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[git/cctbx] master: Documentation build issue dials/dials#481: Disable ReST-parsing of PHIL strings. (5aa2305fc)

CCTBX commit

Fri, 5 Jan 2018 11:48:14 +0000

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[git/cctbx] master: Documentation build issue dials/dials#481: pipes in phil output need escaping (15c492659)

CCTBX commit

Fri, 5 Jan 2018 10:59:55 +0000

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[git/cctbx] master: bugfix with test. (82e0c8fd0)

CCTBX commit

Thu, 4 Jan 2018 17:02:26 -0800

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[git/cctbx] master: Bugfix for reflection table version of cxi.merge. crystal_orientation.crystal_rotation_matrix is not the same thing as the U* matrix. (d355b3440)

CCTBX commit

Mon, 1 Jan 2018 13:07:09 -0800

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[git/cctbx] master: Update FormatXTCCspad.py (ec671376e)

CCTBX commit

Mon, 18 Dec 2017 15:27:28 -0800

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[git/cctbx] master: adding CSPAD reader (5216b80e4)

CCTBX commit

Mon, 18 Dec 2017 15:24:10 -0800

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