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Size
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[git/cctbx] master: More commenting out (46cf5f5e7)
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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)
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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)
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CCTBX commit |
Wed, 31 Jan 2018 09:52:13 -0800 |
348 lines |
[git/cctbx] master: Clean clutter (25e1b0f69)
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CCTBX commit |
Wed, 31 Jan 2018 15:34:52 +0000 |
50 lines |
[git/cctbx] master: Addition of ScalingModelFactory and Interface to the model. (5b765f4cb)
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CCTBX commit |
Wed, 31 Jan 2018 14:57:56 +0000 |
372 lines |
[git/cctbx] master: Addition of scaling_model to dxtbx.model. (6a3523a7b)
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CCTBX commit |
Wed, 31 Jan 2018 14:57:56 +0000 |
615 lines |
[git/cctbx] master: Correcting warning message. (35f186872)
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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)
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CCTBX commit |
Wed, 31 Jan 2018 14:57:56 +0000 |
735 lines |
[git/cctbx] master: fix missing import (5db9ec02d)
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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)
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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)
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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)
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CCTBX commit |
Tue, 30 Jan 2018 17:26:07 -0800 |
544 lines |
[git/cctbx] master: More refactoring, annotations. (b5046215c)
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CCTBX commit |
Tue, 30 Jan 2018 17:25:53 -0800 |
788 lines |
[git/cctbx] master: Remove unused parameters from the function. Adjust tests. (837ee2ff0)
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CCTBX commit |
Tue, 30 Jan 2018 17:25:53 -0800 |
327 lines |
[git/cctbx] master: Another unused, untested function. (9c983a7d8)
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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)
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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)
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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)
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CCTBX commit |
Tue, 30 Jan 2018 15:31:41 -0800 |
84 lines |
[git/cctbx] master: set maximum size for resolve map (5ead267f9)
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CCTBX commit |
Tue, 30 Jan 2018 16:11:15 -0700 |
160 lines |
[git/cctbx] master: clean clutter (7364f74e4)
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CCTBX commit |
Tue, 30 Jan 2018 14:36:10 -0800 |
116 lines |
Jenkins 5a cctbx Tests build 5859 Fixed
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DLS Jenkins |
Tue, 30 Jan 2018 22:10:05 +0000 |
37 lines |
[git/cctbx] master: fix typo (69888d372)
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CCTBX commit |
Tue, 30 Jan 2018 14:06:53 -0800 |
74 lines |
Jenkins 5a cctbx Tests build 5858 Failure
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DLS Jenkins |
Tue, 30 Jan 2018 22:06:51 +0000 |
157 lines |
[git/cctbx] master: Check on available memory (139c4ae60)
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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)
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CCTBX commit |
Tue, 30 Jan 2018 13:31:42 -0800 |
131 lines |
[git/cctbx] master: Clean clutter (51f0dd0b1)
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CCTBX commit |
Tue, 30 Jan 2018 13:26:03 -0800 |
77 lines |
[git/cctbx] master: DataManager: * Added functionality for writing files (384fa7f23)
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CCTBX commit |
Tue, 30 Jan 2018 13:25:05 -0800 |
323 lines |
[git/cctbx] master: CCTBXParser: * Added support for datatypes from ProgramTemplate (ade5c0ea7)
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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)
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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)
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CCTBX commit |
Tue, 30 Jan 2018 10:58:52 -0800 |
1892 lines |
[git/cctbx] master: use less memory and fix minor typo (7c7ce247d)
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CCTBX commit |
Mon, 29 Jan 2018 20:06:55 -0800 |
374 lines |
[git/cctbx] master: clean clutter (70dbb2f79)
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CCTBX commit |
Mon, 29 Jan 2018 18:41:41 -0700 |
85 lines |
[git/cctbx] master: import (cd6d70ae1)
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CCTBX commit |
Mon, 29 Jan 2018 17:38:48 -0800 |
70 lines |
[git/cctbx] master: Actually removing commented out functions (bf00566c8)
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CCTBX commit |
Mon, 29 Jan 2018 17:26:16 -0800 |
209 lines |
[git/cctbx] master: More cleanup (4fa247cfc)
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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)
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CCTBX commit |
Mon, 29 Jan 2018 17:21:52 -0800 |
689 lines |
[git/cctbx] master: Allow cutting out part of big structures (87b0f641e)
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CCTBX commit |
Mon, 29 Jan 2018 16:56:09 -0800 |
2442 lines |
[git/cctbx] master: libtbx.find_unused_imports_crude (076f45bd5)
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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)
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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)
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CCTBX commit |
Mon, 29 Jan 2018 12:29:31 -0800 |
78 lines |
[git/cctbx] master: Fixed output of sweep diff (7598867a6)
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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)
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CCTBX commit |
Mon, 29 Jan 2018 14:57:25 +0000 |
304 lines |
[git/cctbx] master: deprecate Python <2.5 compatibility layer (68d5b7c41)
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CCTBX commit |
Mon, 29 Jan 2018 11:02:25 +0000 |
147 lines |
[git/cctbx] master: minor printout change (bfe9c4a48)
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CCTBX commit |
Sat, 27 Jan 2018 08:00:00 -0800 |
110 lines |
[git/cctbx] master: cleanup (add787943)
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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)
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CCTBX commit |
Fri, 26 Jan 2018 18:06:16 -0800 |
244 lines |
[git/cctbx] master: Rearrange. Add xyz for all results. Adapt tests. (84c1167f1)
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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)
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CCTBX commit |
Fri, 26 Jan 2018 15:17:04 -0800 |
71 lines |
[git/cctbx] master: small corrections (0f8430634)
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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)
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CCTBX commit |
Fri, 26 Jan 2018 10:19:38 -0800 |
179 lines |
[git/cctbx] master: Grad buttons work in IOTA file list control (25b292829)
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CCTBX commit |
Thu, 25 Jan 2018 15:10:10 -0800 |
218 lines |
[git/cctbx] master: Image tracker: chart selector visible again (788876fec)
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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)
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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)
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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)
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CCTBX commit |
Thu, 25 Jan 2018 09:33:29 -0800 |
116 lines |
[git/cctbx] master: Fix Crystal subclass “is_similar_to” warnings (b485bf2cd)
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CCTBX commit |
Thu, 25 Jan 2018 16:58:48 +0000 |
334 lines |
[git/cctbx] master: fixes for DLS I03 full CBF format class (a328ceb1b)
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CCTBX commit |
Thu, 25 Jan 2018 15:02:18 +0000 |
101 lines |
[git/cctbx] master: Alter copy-construction of dxtbx::model::Detector (d79b2afb8)
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CCTBX commit |
Thu, 25 Jan 2018 14:17:36 +0000 |
244 lines |
[git/cctbx] master: Avoiding unnecessary writing: Converting images to double (3a7b056fc)
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CCTBX commit |
Thu, 25 Jan 2018 14:15:46 +0000 |
108 lines |
[git/cctbx] master: don't use root logger (318b414fd)
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CCTBX commit |
Thu, 25 Jan 2018 12:53:27 +0000 |
447 lines |
[git/cctbx] master: further code cleanup (99ffd3c3d)
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CCTBX commit |
Wed, 24 Jan 2018 18:19:40 -0800 |
73 lines |
[git/cctbx] master: code clean-up (e67061d1d)
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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)
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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)
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CCTBX commit |
Wed, 24 Jan 2018 17:24:45 -0800 |
91 lines |
[git/cctbx] master: minor bug fixes, mostly for GUI (52be221bf)
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CCTBX commit |
Wed, 24 Jan 2018 17:24:45 -0800 |
785 lines |
[git/cctbx] master: clean clutter (8197ab43c)
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CCTBX commit |
Wed, 24 Jan 2018 16:28:53 -0800 |
115 lines |
[git/cctbx] master: Annotate functions in ncs_utils (644ca04f1)
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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)
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CCTBX commit |
Wed, 24 Jan 2018 15:56:24 -0800 |
96 lines |
[git/cctbx] master: DataManager: * Set initial default when loading from phil (1f13df3e1)
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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)
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CCTBX commit |
Wed, 24 Jan 2018 11:48:42 -0800 |
670 lines |
[git/cctbx] master: mtz.object.change_basis_in_place(): update umat (255cea644)
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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)
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CCTBX commit |
Wed, 24 Jan 2018 09:32:23 -0800 |
89 lines |
[git/cctbx] master: clean clutter (f50cad10d)
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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)
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CCTBX commit |
Wed, 24 Jan 2018 15:29:35 +0000 |
832 lines |
[git/cctbx] master: remove reduce() from dxtbx (df579f754)
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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)
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CCTBX commit |
Tue, 23 Jan 2018 17:01:33 -0800 |
178 lines |
[git/cctbx] master: DataManager: * Fix comment (6a643c697)
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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)
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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)
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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)
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CCTBX commit |
Tue, 23 Jan 2018 16:21:43 -0800 |
123 lines |
[git/cctbx] master: Fix xtc_process when reading multiple runs. (b5200ba8c)
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CCTBX commit |
Tue, 23 Jan 2018 15:43:49 -0800 |
102 lines |
[git/cctbx] master: Fixes for xtc_process and datasource (2a1692d06)
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CCTBX commit |
Tue, 23 Jan 2018 15:35:45 -0800 |
224 lines |
[git/cctbx] master: comment (26658db0b)
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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)
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CCTBX commit |
Tue, 23 Jan 2018 15:19:49 -0800 |
926 lines |
[git/cctbx] master: Taking global parameters out of group (3ea6737c6)
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CCTBX commit |
Tue, 23 Jan 2018 15:19:49 -0800 |
664 lines |
[git/cctbx] master: More refactoring: removing groups class (1ddf11474)
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CCTBX commit |
Tue, 23 Jan 2018 15:19:49 -0800 |
378 lines |
[git/cctbx] master: Renaming files so names reflect their functionality (ea907cc5f)
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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)
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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)
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CCTBX commit |
Tue, 23 Jan 2018 14:00:20 -0800 |
621 lines |
[git/cctbx] master: CCTBXParser: * added output for unrecognized files (2365e1d3e)
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CCTBX commit |
Tue, 23 Jan 2018 11:24:53 -0800 |
112 lines |
[git/cctbx] master: remove libtbx/pexpect.py (26c36d273)
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CCTBX commit |
Tue, 23 Jan 2018 18:26:20 +0000 |
56 lines |
[git/cctbx] master: more Python3 compatibility changes, this time in libtbx (b1bf42938)
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CCTBX commit |
Tue, 23 Jan 2018 16:58:11 +0000 |
1974 lines |
[git/cctbx] master: random Python3 compatibility changes (bd6e50c56)
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CCTBX commit |
Tue, 23 Jan 2018 16:25:36 +0000 |
251 lines |
[git/cctbx] master: clean clutter (69218de95)
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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)
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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)
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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)
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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)
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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)
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CCTBX commit |
Tue, 23 Jan 2018 15:10:50 +0000 |
408 lines |
[git/cctbx] master: Python 2->3 compatibility changes (b196e434a)
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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)
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CCTBX commit |
Tue, 23 Jan 2018 06:14:44 -0800 |
165 lines |
Jenkins 5a cctbx Tests build 5787 Fixed
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DLS Jenkins |
Tue, 23 Jan 2018 11:32:40 +0000 |
37 lines |
[git/cctbx] master: remove subprocess_with_fixes (a00221494)
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CCTBX commit |
Tue, 23 Jan 2018 11:23:23 +0000 |
123 lines |
Jenkins 5a cctbx Tests build 5786 Still Failing
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DLS Jenkins |
Tue, 23 Jan 2018 09:27:47 +0000 |
172 lines |
[git/cctbx] master: Migrate annlib_adaptbx to github. (0c59e52eb)
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CCTBX commit |
Tue, 23 Jan 2018 09:25:59 +0000 |
141 lines |
Jenkins 5a cctbx Tests build 5785 Failure
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DLS Jenkins |
Tue, 23 Jan 2018 08:45:51 +0000 |
168 lines |
[git/cctbx] master: Revert "Revert "Python3 syntaxification, #80"" (0d77a8396)
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CCTBX commit |
Tue, 23 Jan 2018 08:31:36 +0000 |
2074 lines |
[git/cctbx] master: actually remove refactored functionality (0835b9a50)
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CCTBX commit |
Mon, 22 Jan 2018 18:46:57 -0800 |
2234 lines |
[git/cctbx] master: clutter, import duplication (66738a062)
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CCTBX commit |
Mon, 22 Jan 2018 17:52:10 -0800 |
69 lines |
[git/cctbx] master: moving ncs params to mmtbx from phenix.refine (9bacd1419)
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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)
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CCTBX commit |
Mon, 22 Jan 2018 16:40:49 -0800 |
260 lines |
[git/cctbx] master: Meaningful name for ncs constraints everywhere (9e09f1e5d)
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CCTBX commit |
Mon, 22 Jan 2018 15:38:39 -0800 |
527 lines |
[git/cctbx] master: Angle outliers involving hydrogens. With test. (ef9ee5f2d)
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CCTBX commit |
Mon, 22 Jan 2018 15:09:34 -0800 |
581 lines |
[git/cctbx] master: Analyse bond outliers. With tests. (c8dce84ef)
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CCTBX commit |
Mon, 22 Jan 2018 14:27:39 -0800 |
1073 lines |
[git/cctbx] master: Change printout only (5f070560f)
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CCTBX commit |
Mon, 22 Jan 2018 13:26:13 -0800 |
84 lines |
[git/cctbx] master: DivCon minimisation bugfix (dde0e9ac3)
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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)
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CCTBX commit |
Mon, 22 Jan 2018 12:41:33 -0800 |
527 lines |
[git/cctbx] master: Catching None and raising Sorry instead of traceback. (c460b36a3)
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CCTBX commit |
Mon, 22 Jan 2018 10:44:00 -0800 |
92 lines |
[git/cctbx] master: fix minor bug failing to set n_residues (bb9cca421)
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CCTBX commit |
Mon, 22 Jan 2018 10:43:34 -0800 |
116 lines |
[git/cctbx] master: minor printout changes (02e6f3938)
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CCTBX commit |
Mon, 22 Jan 2018 09:20:40 -0800 |
91 lines |
[git/cctbx] master: clean clutter (6584bfc6c)
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CCTBX commit |
Sun, 21 Jan 2018 19:21:26 -0800 |
48 lines |
[git/cctbx] master: Automatically identify solvent fraction (ed55f2945)
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CCTBX commit |
Sun, 21 Jan 2018 19:20:50 -0800 |
91 lines |
[git/cctbx] master: Automatically identify solvent fraction (26aa71864)
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CCTBX commit |
Sun, 21 Jan 2018 19:03:50 -0800 |
690 lines |
[git/cctbx] master: clean clutter (a5ce9d9ee)
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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)
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CCTBX commit |
Sat, 20 Jan 2018 11:08:13 -0800 |
135 lines |
[git/cctbx] master: trailing empty lines (f2e36d275)
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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)
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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)
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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)
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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)
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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)
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CCTBX commit |
Fri, 19 Jan 2018 16:19:42 -0800 |
851 lines |
[git/cctbx] master: better than clean clutter (4d27cbaa9)
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CCTBX commit |
Fri, 19 Jan 2018 20:14:01 +0000 |
66 lines |
[git/cctbx] master: Clean clutter (870a03211)
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CCTBX commit |
Fri, 19 Jan 2018 11:58:36 -0800 |
63 lines |
[git/cctbx] master: Cleanup. (6912103fc)
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CCTBX commit |
Fri, 19 Jan 2018 11:06:27 -0800 |
631 lines |
[git/cctbx] master: Some cleanup and more tests. (672bfd012)
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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)
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CCTBX commit |
Fri, 19 Jan 2018 10:25:02 -0800 |
246 lines |
[git/cctbx] master: Data Manager: * Added function for checking counts (8ab8383a7)
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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)
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CCTBX commit |
Fri, 19 Jan 2018 11:24:38 +0000 |
118 lines |
Jenkins 5b cctbx MacOS build 1983 Fixed
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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)
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CCTBX commit |
Fri, 19 Jan 2018 06:08:39 +0000 |
114 lines |
[git/cctbx] master: Some cleanup, comments. (5e135dbc8)
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CCTBX commit |
Thu, 18 Jan 2018 17:07:06 -0800 |
190 lines |
Jenkins 5b cctbx MacOS build 1982 Failure
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DLS Jenkins |
Fri, 19 Jan 2018 00:21:46 +0000 |
137 lines |
[git/cctbx] master: command-line bug fixes (20500b0ca)
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CCTBX commit |
Thu, 18 Jan 2018 15:53:41 -0800 |
221 lines |
[git/cctbx] master: Better parameter name and more tests. (dc97c153c)
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CCTBX commit |
Thu, 18 Jan 2018 15:41:53 -0800 |
553 lines |
[git/cctbx] master: fetch_pdb: enable PDB-REDO mirror in command-line tool; clean up some lingering code; (45a2b17fd)
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CCTBX commit |
Thu, 18 Jan 2018 11:25:38 -0800 |
177 lines |
[git/cctbx] master: Add PDB-REDO mirror to fetch function (#118) (2e2c225de)
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CCTBX commit |
Thu, 18 Jan 2018 10:59:22 -0800 |
330 lines |
[git/cctbx] master: added selection keyword residues_within (2c51d3a87)
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CCTBX commit |
Thu, 18 Jan 2018 10:55:55 -0800 |
345 lines |
[git/cctbx] master: I wonder what this breaks. (5f998101a)
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CCTBX commit |
Thu, 18 Jan 2018 16:14:19 +0000 |
108 lines |
[git/cctbx] master: Enable boost threads by default (954e3985a)
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CCTBX commit |
Thu, 18 Jan 2018 16:10:09 +0000 |
93 lines |
[git/cctbx] master: Expose boost classes for crystals with Crystal and base class (e4b9b763d)
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CCTBX commit |
Thu, 18 Jan 2018 10:36:26 +0000 |
107 lines |
[git/cctbx] master: Flag case of single H atoms with occ < 1. Add test. (99cd363a4)
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CCTBX commit |
Wed, 17 Jan 2018 16:26:16 -0800 |
445 lines |
[git/cctbx] master: More tests. (dcc6b562c)
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CCTBX commit |
Wed, 17 Jan 2018 15:22:53 -0800 |
745 lines |
[git/cctbx] master: Create README.md (88844bad3)
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CCTBX commit |
Wed, 17 Jan 2018 13:46:07 -0800 |
92 lines |
[git/cctbx] master: Now add tests. (f4506f781)
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CCTBX commit |
Wed, 17 Jan 2018 13:30:02 -0800 |
516 lines |
[git/cctbx] master: Add more tests and re-arrange code a bit. (7e9d63c38)
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CCTBX commit |
Wed, 17 Jan 2018 13:25:58 -0800 |
372 lines |
[git/cctbx] master: Fix typo (44ce27d40)
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CCTBX commit |
Wed, 17 Jan 2018 11:28:27 -0800 |
79 lines |
[git/cctbx] master: Fix minor typo (fcce53d38)
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CCTBX commit |
Wed, 17 Jan 2018 11:26:26 -0800 |
102 lines |
[git/cctbx] master: Allow generation of helical ncs; fix minor bug in map_box (7b0c16591)
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CCTBX commit |
Wed, 17 Jan 2018 11:14:00 -0800 |
286 lines |
[git/cctbx] master: Build grm when creating model; add comment. (38a11150d)
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CCTBX commit |
Wed, 17 Jan 2018 09:46:55 -0800 |
155 lines |
[git/cctbx] master: Merge pull request #119 from gbunkoczi/master (b3ddc7f2b)
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CCTBX commit |
Wed, 17 Jan 2018 10:18:49 +0000 |
56 lines |
[git/cctbx] master: Bugfix (655ca6c19)
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CCTBX commit |
Tue, 16 Jan 2018 16:45:08 -0800 |
77 lines |
[git/cctbx] master: cleaning clutter and specifying ImportError in FormatXTC when psana is unavailable (8d06ee175)
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CCTBX commit |
Tue, 16 Jan 2018 16:39:50 -0800 |
110 lines |
[git/cctbx] master: Merge pull request #109 from cctbx/xtc_format_class (1e8438221)
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CCTBX commit |
Tue, 16 Jan 2018 15:39:07 -0800 |
64 lines |
[git/cctbx] master: fixing some indentation issues (06ff3e0b7)
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CCTBX commit |
Tue, 16 Jan 2018 15:33:43 -0800 |
121 lines |
[git/cctbx] master: resolved merge conflict in cspad format class (08d1a0f52)
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CCTBX commit |
Tue, 16 Jan 2018 15:02:30 -0800 |
95 lines |
[git/cctbx] master: changes to address code review meeting concerns on 1-16 (8341766b1)
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CCTBX commit |
Tue, 16 Jan 2018 14:29:21 -0800 |
424 lines |
[git/cctbx] master: Restore warnings (29a41b536)
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CCTBX commit |
Tue, 16 Jan 2018 14:11:32 -0800 |
134 lines |
[git/cctbx] master: Unmark ok function, mark couple others with explanation. (913210c70)
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CCTBX commit |
Tue, 16 Jan 2018 13:28:18 -0800 |
128 lines |
[git/cctbx] master: python3 compatibility fixes for libtbx_refresh.py (2e8901caa)
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CCTBX commit |
Tue, 16 Jan 2018 09:10:04 +0000 |
567 lines |
Jenkins 5a cctbx Tests build 5723 Fixed
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DLS Jenkins |
Tue, 16 Jan 2018 09:05:14 +0000 |
37 lines |
[git/cctbx] master: Revert "Python3 syntaxification, #80" (ecd719293)
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CCTBX commit |
Tue, 16 Jan 2018 08:56:31 +0000 |
2092 lines |
Jenkins 5a cctbx Tests build 5722 Failure
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DLS Jenkins |
Tue, 16 Jan 2018 08:50:55 +0000 |
176 lines |
[git/cctbx] master: Python3 syntaxification, #80 (c3d62324b)
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CCTBX commit |
Tue, 16 Jan 2018 08:49:02 +0000 |
2061 lines |
[git/cctbx] master: code cleanup (RHEL4 compatibility, exception handling) (c22259356)
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CCTBX commit |
Tue, 16 Jan 2018 08:38:35 +0000 |
230 lines |
[git/cctbx] master: Fix pythonpath for virtualenv setup (ba64a2196)
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CCTBX commit |
Mon, 15 Jan 2018 12:20:34 +0000 |
94 lines |
[git/cctbx] master: Do not compress MacOS .pkg installers (7b724ce6c)
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CCTBX commit |
Mon, 15 Jan 2018 10:49:01 +0000 |
135 lines |
[git/cctbx] master: remove site.py. (916f58878)
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CCTBX commit |
Mon, 15 Jan 2018 10:44:54 +0000 |
699 lines |
[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)
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CCTBX commit |
Mon, 15 Jan 2018 08:07:22 +0000 |
85 lines |
[git/cctbx] master: Update return value of chain_compariso and make runs uniform in form (172892682)
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CCTBX commit |
Sun, 14 Jan 2018 15:06:18 -0800 |
340 lines |
[git/cctbx] master: Clean up method for calculating fraction found so no ratios needed (46663845f)
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CCTBX commit |
Sun, 14 Jan 2018 08:46:32 -0800 |
788 lines |
[git/cctbx] master: Support for python-based dxtbx crystal model is deprecated, use C++ class with Sauter2014 specialization. (cf773e342)
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CCTBX commit |
Sat, 13 Jan 2018 12:14:25 -0800 |
188 lines |
[git/cctbx] master: Support new C++ dxtbx crystal model, Sauter2014 variant. (288400492)
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CCTBX commit |
Sat, 13 Jan 2018 12:14:25 -0800 |
86 lines |
[git/cctbx] master: Better validation of mtz reference, avoid Traceback after hours-long calculation. (c31181fda)
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CCTBX commit |
Sat, 13 Jan 2018 12:14:24 -0800 |
121 lines |
[git/cctbx] master: Please don't rain on my parade - removing verbose warning with prejudice. (7c8553ec0)
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CCTBX commit |
Sat, 13 Jan 2018 12:14:24 -0800 |
93 lines |
[git/cctbx] master: fix minor missing value (edcae41f4)
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CCTBX commit |
Sat, 13 Jan 2018 11:41:16 -0800 |
88 lines |
[git/cctbx] master: clean clutter (7ee764ca5)
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CCTBX commit |
Sat, 13 Jan 2018 11:31:54 -0800 |
73 lines |
[git/cctbx] master: clean clutter (b017b6d41)
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CCTBX commit |
Sat, 13 Jan 2018 11:17:59 -0800 |
48 lines |
[git/cctbx] master: catch duplicate use of same atom; change printout slightly (31149f7a5)
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CCTBX commit |
Sat, 13 Jan 2018 10:46:24 -0800 |
1322 lines |
Jenkins 5b cctbx MacOS build 1951 Fixed
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DLS Jenkins |
Sat, 13 Jan 2018 09:39:27 +0000 |
37 lines |
[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)
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CCTBX commit |
Fri, 12 Jan 2018 19:33:20 -0800 |
1348 lines |
Jenkins 5b cctbx MacOS build 1950 Failure
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DLS Jenkins |
Sat, 13 Jan 2018 01:36:06 +0000 |
140 lines |
[git/cctbx] master: Citation functionality: Migrate some citation handling code (thanks @natechols, @rjgildea) from Phenix to CCTBX for general consumption (9e74351b9)
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CCTBX commit |
Fri, 12 Jan 2018 15:54:08 -0800 |
3390 lines |
[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)
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CCTBX commit |
Fri, 12 Jan 2018 14:19:58 -0800 |
467 lines |
[git/cctbx] master: Found a sign error in compute_dI_dp (quotient rule reversal) (7a9568f6f)
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CCTBX commit |
Fri, 12 Jan 2018 14:19:58 -0800 |
189 lines |
[git/cctbx] master: Tidy and add a bunch of comments (de21b3b7e)
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CCTBX commit |
Fri, 12 Jan 2018 14:19:58 -0800 |
709 lines |
[git/cctbx] master: Initial commit for error propagation in cxi.merge (c6adda742)
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CCTBX commit |
Fri, 12 Jan 2018 14:19:58 -0800 |
993 lines |
[git/cctbx] master: Additional phil validation for samosa. (c65ae139f)
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CCTBX commit |
Fri, 12 Jan 2018 14:01:03 -0800 |
108 lines |
[git/cctbx] master: redundancy_to_edge should not be a mandatory argument. Moving to kwargs with prejudice. (787d8fbce)
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CCTBX commit |
Fri, 12 Jan 2018 14:01:03 -0800 |
85 lines |
[git/cctbx] master: clean clutter (8f4c4129d)
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CCTBX commit |
Fri, 12 Jan 2018 12:43:50 -0800 |
51 lines |
[git/cctbx] master: Allow ncs in chain_comparison (b82ead63e)
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CCTBX commit |
Fri, 12 Jan 2018 12:18:23 -0800 |
1082 lines |
[git/cctbx] master: Raise Sorry if user provides model cif instead of restraint cif in table_one. (29657a17d)
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CCTBX commit |
Fri, 12 Jan 2018 11:14:00 -0800 |
85 lines |
[git/cctbx] master: drop compatibility code for collections for ancient Python versions (c30c607ca)
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CCTBX commit |
Fri, 12 Jan 2018 11:51:54 +0000 |
636 lines |
[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)
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CCTBX commit |
Fri, 12 Jan 2018 11:11:58 +0000 |
175 lines |
[git/cctbx] master: Python 2.5+ is api_version 1013, so retire old code (f541494c6)
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CCTBX commit |
Fri, 12 Jan 2018 11:07:19 +0000 |
108 lines |
[git/cctbx] master: Python3 syntax compatibility (0dd4eb987)
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CCTBX commit |
Fri, 12 Jan 2018 11:05:18 +0000 |
135 lines |
[git/cctbx] master: no idea what copy_init_args does, but it is used in exactly 1 place so retire it from libtbx (da3fe0d30)
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CCTBX commit |
Fri, 12 Jan 2018 11:03:18 +0000 |
139 lines |
[git/cctbx] master: Fixing blank lines in pdb REMARK (9501b003f)
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CCTBX commit |
Thu, 11 Jan 2018 16:46:07 -0800 |
74 lines |
[git/cctbx] master: fix (dcc42b4e8)
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CCTBX commit |
Thu, 11 Jan 2018 11:25:11 -0800 |
71 lines |
[git/cctbx] master: Do not apply BIOMT if matrices are nonsensical (e651bba4f)
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CCTBX commit |
Thu, 11 Jan 2018 10:58:15 -0800 |
82 lines |
[git/cctbx] master: 2nd attempt to bugfix (191c8ae6f)
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CCTBX commit |
Thu, 11 Jan 2018 10:13:26 -0800 |
77 lines |
Jenkins 5a cctbx Tests build 5691 Fixed
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DLS Jenkins |
Thu, 11 Jan 2018 16:02:55 +0000 |
38 lines |
[git/cctbx] master: return the bug back; previous bugfix brakes a lof of other nonsense. (54a44238a)
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CCTBX commit |
Thu, 11 Jan 2018 07:57:04 -0800 |
76 lines |
Jenkins 5a cctbx Tests build 5690 Unstable
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DLS Jenkins |
Thu, 11 Jan 2018 15:42:58 +0000 |
38 lines |
[git/cctbx] master: output cc into a file (bc5e307ad)
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CCTBX commit |
Thu, 11 Jan 2018 07:37:32 -0800 |
118 lines |
[git/cctbx] master: Bug fix: do not attempt to BIOMT expand if there is nothing to expand. (ba355e705)
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CCTBX commit |
Thu, 11 Jan 2018 07:37:32 -0800 |
76 lines |
[git/cctbx] master: Handling BIOMT in mmtbx.model. With example and tests. (e6ae1d1e5)
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CCTBX commit |
Wed, 10 Jan 2018 14:45:38 -0800 |
2446 lines |
[git/cctbx] master: Better failing message indicating that test is failing intentionally. (1c79696d3)
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CCTBX commit |
Wed, 10 Jan 2018 14:45:38 -0800 |
82 lines |
[git/cctbx] master: GUI: Prevent crash when making selections in a model that has alternate conformations (802fbbf0e)
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CCTBX commit |
Wed, 10 Jan 2018 11:56:31 -0800 |
106 lines |
[git/cctbx] master: fix remaining buildbot warning (940c43991)
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CCTBX commit |
Wed, 10 Jan 2018 16:15:05 +0000 |
78 lines |
[git/cctbx] master: Retire pythonpath. (5bfc0e8e2)
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CCTBX commit |
Wed, 10 Jan 2018 16:13:48 +0000 |
236 lines |
Jenkins 5a cctbx Tests build 5684 Fixed
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DLS Jenkins |
Wed, 10 Jan 2018 16:10:40 +0000 |
37 lines |
[git/cctbx] master: Further work for #113: scitbx tests must not live in the scitbx top level directory. (9a06d5f11)
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CCTBX commit |
Wed, 10 Jan 2018 16:01:16 +0000 |
2365 lines |
Jenkins 5a cctbx Tests build 5683 Still Unstable
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DLS Jenkins |
Wed, 10 Jan 2018 15:31:48 +0000 |
214 lines |
Jenkins 5a cctbx Tests build 5683 Still Unstable
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DLS Jenkins |
Wed, 10 Jan 2018 15:31:48 +0000 |
214 lines |
[git/cctbx] master: fix syntax error and missing imports for #113 (44b910f8d)
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CCTBX commit |
Wed, 10 Jan 2018 15:26:55 +0000 |
108 lines |
Jenkins 5a cctbx Tests build 5682 Unstable
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DLS Jenkins |
Wed, 10 Jan 2018 15:17:20 +0000 |
1456 lines |
[git/cctbx] master: missed one import for #113 (94b57e324)
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CCTBX commit |
Wed, 10 Jan 2018 15:11:54 +0000 |
68 lines |
Jenkins 5a cctbx Tests build 5681 Failure
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DLS Jenkins |
Wed, 10 Jan 2018 14:55:51 +0000 |
160 lines |
[git/cctbx] master: Retire stdlib top level module. (c63f5e720)
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CCTBX commit |
Wed, 10 Jan 2018 14:54:57 +0000 |
1481 lines |
[git/cctbx] master: Test for ramalyze and pdb file with several models. Expected to fail. (0118b455a)
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CCTBX commit |
Tue, 9 Jan 2018 16:06:35 -0800 |
934 lines |
[git/cctbx] master: retire unused helper functions numstr7 and real_imag from global namespace (15d28fb21)
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CCTBX commit |
Tue, 9 Jan 2018 23:54:34 +0000 |
108 lines |
[git/cctbx] master: Retire libtbx.subprocess_with_fixes (3ed9636d2)
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CCTBX commit |
Tue, 9 Jan 2018 23:53:53 +0000 |
3278 lines |
[git/cctbx] master: Bugfix: proper handling ? in mmCIF for altloc. with tests. (6ea4d9fa1)
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CCTBX commit |
Tue, 9 Jan 2018 13:51:24 -0800 |
433 lines |
[git/cctbx] master: Send more data into the reflection table version of cxi.merge (9fee661d1)
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CCTBX commit |
Tue, 9 Jan 2018 13:02:29 -0800 |
240 lines |
[git/cctbx] master: Bugfix in hierarchy production from mmCIF with several models and one chain. (e3aea0ffa)
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CCTBX commit |
Tue, 9 Jan 2018 12:06:47 -0800 |
478 lines |
[git/cctbx] master: Bugfix. Plus test. (2fdff58e3)
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CCTBX commit |
Mon, 8 Jan 2018 11:40:07 -0800 |
378 lines |
[git/cctbx] master: iotbx/bioinformatics tests (82a41591d)
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CCTBX commit |
Mon, 8 Jan 2018 13:47:18 +0000 |
77 lines |
[git/cctbx] master: mmtbx/geometry tests (0518ad9b0)
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CCTBX commit |
Mon, 8 Jan 2018 13:41:55 +0000 |
1537 lines |
[git/cctbx] master: cleanup (1ecfb867a)
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CCTBX commit |
Fri, 5 Jan 2018 17:55:48 -0800 |
91 lines |
[git/cctbx] master: Ramachandran/Rotamer plots: Enable recentering for other points (not just outliers) (a160692ec)
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CCTBX commit |
Fri, 5 Jan 2018 16:22:36 -0800 |
102 lines |
[git/cctbx] master: this print only serves to clutter output (5b7826321)
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CCTBX commit |
Fri, 5 Jan 2018 14:36:04 +0000 |
90 lines |
[git/cctbx] master: remove unused import (fd283bf8a)
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CCTBX commit |
Fri, 5 Jan 2018 12:02:28 +0000 |
69 lines |
[git/cctbx] master: Documentation build issue dials/dials#481: Disable ReST-parsing of PHIL strings. (5aa2305fc)
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CCTBX commit |
Fri, 5 Jan 2018 11:48:14 +0000 |
237 lines |
[git/cctbx] master: Documentation build issue dials/dials#481: pipes in phil output need escaping (15c492659)
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CCTBX commit |
Fri, 5 Jan 2018 10:59:55 +0000 |
118 lines |
[git/cctbx] master: bugfix with test. (82e0c8fd0)
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CCTBX commit |
Thu, 4 Jan 2018 17:02:26 -0800 |
119 lines |
[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)
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CCTBX commit |
Mon, 1 Jan 2018 13:07:09 -0800 |
103 lines |
[git/cctbx] master: Update FormatXTCCspad.py (ec671376e)
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CCTBX commit |
Mon, 18 Dec 2017 15:27:28 -0800 |
164 lines |
[git/cctbx] master: adding CSPAD reader (5216b80e4)
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CCTBX commit |
Mon, 18 Dec 2017 15:24:10 -0800 |
486 lines |