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February 2024


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[git/cctbx_project] master: Updating Reduce2 README.md (7b32060a73)

CCTBX commit

Thu, 29 Feb 2024 08:24:37 -0500

176 lines

[git/cctbx_project] master: clean clutter and unused imports (6e759dc2ff)

CCTBX commit

Wed, 28 Feb 2024 11:03:57 -0800

87 lines

[git/cctbx_project] master: Qscore: only retain a single method (numpy precalculate) based on comments from group (ac1fcf3a28)

CCTBX commit

Wed, 28 Feb 2024 11:00:53 -0800

78 lines

[git/cctbx_project] master: Qscore: code review changes applied to tst (8de579f53b)

CCTBX commit

Tue, 27 Feb 2024 08:41:26 -0800

247 lines

[git/dxtbx] main: Merge pull request #699 from dials/set-distance-for-single-panel-detectors-with-hierarchy (4251b758)

DXTBX commit

Mon, 26 Feb 2024 15:29:59 +0000

78 lines

[git/dxtbx] main: Rename newsfragments/xxx.bugfix to newsfragments/699.bugfix (babbcc36)

DXTBX commit

Mon, 26 Feb 2024 14:59:31 +0000

94 lines

[git/dxtbx] main: news (531dfd51)

DXTBX commit

Mon, 26 Feb 2024 14:57:57 +0000

76 lines

[git/dxtbx] main: The xia2 tests show that single panel detectors can have a hierarchy too! (why?!) In such cases it seems that hierarchy is useless, and has origin at 0, 0, 0. When we have a single panel, ensure that it is the panel itself that has its distance updated. Only change the hierarchy for multi-panel detectors, where it is assumed that it has a sensible origin. (ff658e83)

DXTBX commit

Mon, 26 Feb 2024 14:53:25 +0000

238 lines

[git/dxtbx] main: Allow distance override for multi-panel detectors (#698) (8f53e56c)

DXTBX commit

Mon, 26 Feb 2024 12:54:53 +0000

209 lines

[git/dxtbx] main: Clean Clutter (d18fde11)

DXTBX commit

Sun, 25 Feb 2024 05:10:55 +0000

86 lines

[git/cctbx_project] master: Turn off auto-help in CCTBXParser get_program_params (085d25e860)

CCTBX commit

Sat, 24 Feb 2024 14:34:57 -0700

125 lines

[git/cctbx_project] master: weaken the assertion (7467524eb9)

CCTBX commit

Fri, 23 Feb 2024 07:48:59 -0800

90 lines

[git/cctbx_project] master: patch up the script (bf2ebeb085)

CCTBX commit

Fri, 23 Feb 2024 07:48:59 -0800

225 lines

[git/cctbx_project] master: Catch near-int in add_tuples_int (850fe7c3fd)

CCTBX commit

Thu, 22 Feb 2024 13:08:17 -0700

107 lines

[git/dxtbx] tag 'v3.18.0' created

DXTBX commit

Thu, 22 Feb 2024 09:54:42 +0000

40 lines

[git/dxtbx] main: Add natural sorting (#697) (f3f99633)

DXTBX commit

Thu, 22 Feb 2024 09:30:14 +0000

181 lines

[git/cctbx_project] master: mmtbx: update import (7d5bc85422)

CCTBX commit

Tue, 20 Feb 2024 10:26:05 -0800

149 lines

[git/cctbx_project] master: README: update branch name for Python 3.12 test results (d19083fc8f)

CCTBX commit

Tue, 20 Feb 2024 09:44:28 -0800

188 lines

[git/dxtbx] main: Scan from dict fix (#693) (e684c41f)

DXTBX commit

Tue, 20 Feb 2024 11:25:58 +0000

731 lines

[git/cctbx_project] master: iotbx: fix test for Windows (b89a36e758)

CCTBX commit

Mon, 19 Feb 2024 10:39:49 -0800

99 lines

[git/cctbx_project] master: Fmodel: small changes for GUI. (047557eae6)

CCTBX commit

Sun, 18 Feb 2024 16:20:04 -0800

108 lines

[git/dxtbx] main: Reduce comparison precision in `test_FormatISISSXD.py` (#696) (8bf5dad3)

DXTBX commit

Sun, 18 Feb 2024 20:17:54 +0000

322 lines

[git/cctbx_project] master: Allow write of phil format ncs_spec in data_manager (e6fd48f6f1)

CCTBX commit

Sun, 18 Feb 2024 08:03:24 -0800

184 lines

[git/cctbx_project] master: Test for fresh functionality (bc51a80990)

CCTBX commit

Sat, 17 Feb 2024 07:20:01 -0800

227 lines

[git/cctbx_project] master: Add a comment about practical use (26c0fdc778)

CCTBX commit

Fri, 16 Feb 2024 18:48:00 -0800

117 lines

[git/cctbx_project] master: iotbx: clean up get_program_params (a09dd91503)

CCTBX commit

Fri, 16 Feb 2024 15:46:48 -0800

186 lines

[git/cctbx_project] master: Add get_parameter_value (9ba152e380)

CCTBX commit

Fri, 16 Feb 2024 09:56:04 -0800

191 lines

[git/cctbx_project] master: updates for the GUI (75066aa3b3)

CCTBX commit

Wed, 14 Feb 2024 14:56:09 -0800

105 lines

[git/cctbx_project] master: Move output dir scope to the bottom (610ebc6fff)

CCTBX commit

Wed, 14 Feb 2024 12:16:40 -0800

127 lines

[git/cctbx_project] master: iotbx: hide DataManager PHIL scope in GUI by default (20ef6adfa4)

CCTBX commit

Wed, 14 Feb 2024 12:10:02 -0800

97 lines

[git/cctbx_project] master: Qscore: bugfix for case where shells are not explicit. Remove debug print statement (d35b86e355)

CCTBX commit

Tue, 13 Feb 2024 11:54:17 -0800

166 lines

[git/cctbx_project] master: Qscore: update phil str (56553ef19f)

CCTBX commit

Tue, 13 Feb 2024 11:13:01 -0800

139 lines

[git/cctbx_project] master: small terminal correction (22bf1d8d71)

CCTBX commit

Mon, 12 Feb 2024 09:13:59 -0800

112 lines

[git/dxtbx] main: Allow negative rotation angles in Scans (#690) (39e463e5)

DXTBX commit

Mon, 12 Feb 2024 12:26:20 +0000

205 lines

[git/dxtbx] main: Revert "Fix incorrectly parsed properties in Scan.from_dict (#688)" (071947d4)

DXTBX commit

Mon, 12 Feb 2024 12:22:42 +0000

720 lines

[git/dxtbx] main: Ensure time-of-flight does not classify as Scan.is_still() (#689) (300f4feb)

DXTBX commit

Mon, 12 Feb 2024 09:23:13 +0000

235 lines

[git/dxtbx] main: Add FormatISISSXD to read ISIS SXD images. (#687) (00460020)

DXTBX commit

Mon, 12 Feb 2024 09:14:11 +0000

1744 lines

[git/dxtbx] main: Added helper module for time-of-flight experiments (#691) (65c53c34)

DXTBX commit

Mon, 12 Feb 2024 09:04:14 +0000

477 lines

[git/dxtbx] main: Fix incorrectly parsed properties in Scan.from_dict (#688) (80f81f56)

DXTBX commit

Mon, 12 Feb 2024 08:49:04 +0000

726 lines

[git/cctbx_project] master: Add 2nd citation for mmseqs2 (baeff833f2)

CCTBX commit

Sun, 11 Feb 2024 11:12:53 -0700

110 lines

[git/cctbx_project] master: Clean clutter (510316ec75)

CCTBX commit

Sat, 10 Feb 2024 11:34:12 -0800

61 lines

[git/cctbx_project] master: Qscore: Finishing merge from branch qscore_recovery (cf9adb5321)

CCTBX commit

Thu, 8 Feb 2024 12:21:50 -0800

1407 lines

[git/cctbx_project] master: Qscore: add phil string (78042def41)

CCTBX commit

Thu, 8 Feb 2024 12:15:19 -0800

1632 lines

[git/cctbx_project] master: Qscore: fix residue aggregation bug (64c7fb3a35)

CCTBX commit

Thu, 8 Feb 2024 12:13:16 -0800

184 lines

[git/cctbx_project] master: Remove unused function (e77867d863)

CCTBX commit

Thu, 8 Feb 2024 12:13:16 -0800

134 lines

[git/cctbx_project] master: Qscore: fix qscore code after git stash incident (b1e4ef5aad)

CCTBX commit

Thu, 8 Feb 2024 12:13:16 -0800

415 lines

[git/cctbx_project] master: Fix mp bug (8dfab519e2)

CCTBX commit

Thu, 8 Feb 2024 12:13:16 -0800

213 lines

[git/cctbx_project] master: Fix py27 syntax (c8132cf4bb)

CCTBX commit

Thu, 8 Feb 2024 12:13:16 -0800

89 lines

[git/cctbx_project] master: Qscore: adding all the flex code after git stash incident (fa2604bd8b)

CCTBX commit

Thu, 8 Feb 2024 12:13:15 -0800

1543 lines

[git/cctbx_project] master: Clean clutter (1a29ef9144)

CCTBX commit

Thu, 8 Feb 2024 12:13:15 -0800

80 lines

[git/cctbx_project] master: Major changes all at once to qscore numpy code due to a failed git stash operation. (1a8f24af55)

CCTBX commit

Thu, 8 Feb 2024 12:13:15 -0800

77 lines

[git/cctbx_project] master: Major changes to qscore. 1. Implemented kdtree in pure python with flex arrays to speed up nn probe queries, 2. Aggregation by residue which matches the method in mapq, 3. Removed all tests that required running mapq on command line, moved to a personal test file, 4. Check actual qscore values in tests rather than summed values, 5. Misc cleanup, indentation. (d14b7466d9)

CCTBX commit

Thu, 8 Feb 2024 12:13:15 -0800

91 lines

[git/cctbx_project] master: boost: add -lrt for building libboost_chrono on linux (0319c8b4f9)

CCTBX commit

Thu, 8 Feb 2024 09:40:08 -0800

130 lines

[git/cctbx_project] master: R2s (#965) (fcaa1a6cde)

CCTBX commit

Tue, 6 Feb 2024 15:39:59 -0500

207 lines

[git/cctbx_project] master: Port the diffBragg diffuse halo code to the exascale/kokkos API. (#957) (b0181bf5d3)

CCTBX commit

Tue, 6 Feb 2024 12:00:59 -0800

1472 lines

[git/cctbx_project] master: Only print out if verbose (78c0e78987)

CCTBX commit

Tue, 6 Feb 2024 10:46:24 -0800

120 lines

[git/cctbx_project] master: Print conversion info to out (8f50256829)

CCTBX commit

Tue, 6 Feb 2024 10:31:23 -0800

119 lines

[git/cctbx_project] master: fix format/extension in docs (c840fa6639)

CCTBX commit

Mon, 5 Feb 2024 14:55:22 -0800

133 lines

[git/cctbx_project] master: Unrecommend the output_files scope for target_output_format (7ee7c1692c)

CCTBX commit

Mon, 5 Feb 2024 08:27:01 -0800

199 lines

[git/dxtbx] main: New file writer image dimensions (#676) (03e7ee0a)

DXTBX commit

Mon, 5 Feb 2024 10:04:52 +0000

219 lines

[git/cctbx_project] master: Split pdb_or_mmcif_info into write_pdb_or_mmcif_file and as_pdb_or_mmcif_string (54727e7501)

CCTBX commit

Sun, 4 Feb 2024 15:52:26 -0700

1436 lines

[git/cctbx_project] master: Clean up add_models/add_hierarchies (ed154c0dd2)

CCTBX commit

Sat, 3 Feb 2024 10:52:25 -0800

1319 lines

[git/cctbx_project] master: Move guess_chemical_elements to hierarchy; rename check_for_incorrect_spacings with set_element_ignoring_spacings (f7d4554793)

CCTBX commit

Fri, 2 Feb 2024 05:59:46 -0800

916 lines

[git/cctbx_project] master: Better explanation (442faae10a)

CCTBX commit

Thu, 1 Feb 2024 13:04:32 -0800

105 lines

[git/cctbx_project] master: Some comments for new functions (67ea9fc40a)

CCTBX commit

Thu, 1 Feb 2024 12:34:59 -0800

151 lines

[git/cctbx_project] master: Clean clutter and update test to not require restraints (908c7215c6)

CCTBX commit

Thu, 1 Feb 2024 11:46:09 -0800

184 lines

[git/cctbx_project] master: Adding functionality for use of mmCIF/PDB formatted files and removal of PDB-specific code. See modules/cctbx_project/iotbx/command_line/pdb_cif_conversion.py or type phenix.pdb_cif_conversion for summary. (1d4cd23e04)

CCTBX commit

Thu, 1 Feb 2024 05:49:21 -0800

261 lines

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