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August 2023


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[git/cctbx_project] master: fix typo in help text (9adb0d6fda)

CCTBX commit

Thu, 31 Aug 2023 09:15:36 +1000

102 lines

[git/cctbx_project] master: cctbx: only run test if chem_data is available (07adc92190)

CCTBX commit

Wed, 30 Aug 2023 13:29:28 -0700

91 lines

[git/cctbx_project] master: Clarify comparison (0c9dec58e6)

CCTBX commit

Wed, 30 Aug 2023 12:50:29 -0600

97 lines

[git/cctbx_project] master: Fix consistency check for space group in cif/builders (c139f59e49)

CCTBX commit

Wed, 30 Aug 2023 12:07:52 -0600

129 lines

[git/cctbx_project] master: small change (b0047ee354)

CCTBX commit

Tue, 29 Aug 2023 21:46:01 -0700

96 lines

[git/cctbx_project] master: Bug fix, speedup and generalization (7c62d8b5d6)

CCTBX commit

Tue, 29 Aug 2023 15:27:38 -0700

1491 lines

[git/cctbx_project] master: Fix typo in doc string (d8aa8fc79c)

CCTBX commit

Tue, 29 Aug 2023 15:48:00 -0600

97 lines

[git/cctbx_project] master: clean clutter, add json_exchange class and fix errors (889d62ce4b)

CCTBX commit

Tue, 29 Aug 2023 13:11:13 -0700

432 lines

[git/cctbx_project] master: modify omegalyze program to use get_results (dd391499d0)

CCTBX commit

Tue, 29 Aug 2023 14:02:13 -0400

260 lines

[git/cctbx_project] master: Reduce2 speed (#921) (12195abaa1)

CCTBX commit

Sat, 26 Aug 2023 07:20:04 -0400

523 lines

[git/cctbx_project] master: return reverse shift but not the function (451eefd139)

CCTBX commit

Fri, 25 Aug 2023 18:13:03 -0700

202 lines

[git/cctbx_project] master: Catch None (5f809d8fbd)

CCTBX commit

Fri, 25 Aug 2023 18:52:24 -0600

109 lines

[git/cctbx_project] master: TNCS -> tNCS (82799b5dbb)

CCTBX commit

Fri, 25 Aug 2023 12:47:01 +0100

614 lines

[git/cctbx_project] master: added an option for probing ions (38516af9de)

CCTBX commit

Thu, 24 Aug 2023 17:57:28 -0700

357 lines

[git/cctbx_project] master: moved parameters for freezing to one choice parameter (bc8df4f3bf)

CCTBX commit

Thu, 24 Aug 2023 16:13:18 -0700

368 lines

[git/cctbx_project] master: lots of changes for a start at changing the PHIL (447020c52a)

CCTBX commit

Thu, 24 Aug 2023 14:58:26 -0700

577 lines

[git/cctbx_project] master: added a function parameter to help with QMR (0bac01020e)

CCTBX commit

Thu, 24 Aug 2023 14:57:15 -0700

143 lines

[git/cctbx_project] master: default for description filename (a437d53b20)

CCTBX commit

Thu, 24 Aug 2023 11:07:42 -0700

105 lines

[git/cctbx_project] master: send all to log (088b157a70)

CCTBX commit

Thu, 24 Aug 2023 11:05:39 -0700

96 lines

[git/dxtbx] main: Fix pkg_resources->importlib performance regression (#658) (2fc8ffad)

DXTBX commit

Thu, 24 Aug 2023 10:20:43 +0100

213 lines

[git/cctbx_project] master: Align tranche reports with 4 cosets-space group P3 (887a91bb16)

CCTBX commit

Wed, 23 Aug 2023 13:53:52 -0700

493 lines

[git/cctbx_project] master: Allow the use of Fcalc for isomorphous reference (a09069c307)

CCTBX commit

Wed, 23 Aug 2023 13:51:52 -0700

140 lines

[git/cctbx_project] master: Brehm-Diederichs embedding plot in 4D, for SG=P3 (d7ad3541de)

CCTBX commit

Wed, 23 Aug 2023 13:49:33 -0700

296 lines

[git/cctbx_project] master: Change expected output (6d8c941c1d)

CCTBX commit

Tue, 22 Aug 2023 10:27:13 -0700

96 lines

[git/cctbx_project] master: CI: speed up environment creation (7f3161be95)

CCTBX commit

Mon, 21 Aug 2023 11:55:09 -0700

139 lines

[git/cctbx_project] master: UC histograms: optionally set angle ranges (#919) (05090f426e)

CCTBX commit

Mon, 21 Aug 2023 14:03:09 -0400

296 lines

[git/cctbx_project] master: CI: update conda (df9f81490a)

CCTBX commit

Mon, 21 Aug 2023 09:25:56 -0700

98 lines

[git/cctbx_project] master: first commit for barbed_wire_analysis tool (2fa5d6dfb0)

CCTBX commit

Fri, 18 Aug 2023 13:18:42 -0400

1680 lines

[git/cctbx_project] master: allow copying table of datasets and binning table to clipboard (48b4e21791)

CCTBX commit

Thu, 17 Aug 2023 23:47:57 +0100

280 lines

[git/cctbx_project] master: silly (436b0a92f3)

CCTBX commit

Thu, 17 Aug 2023 13:54:06 -0700

98 lines

[git/cctbx_project] master: bootstrap: update some defaults for molprobity builder (39180c7b4e)

CCTBX commit

Thu, 17 Aug 2023 13:12:16 -0700

102 lines

[git/cctbx_project] master: check for missing keys (12f06eeaa0)

CCTBX commit

Thu, 17 Aug 2023 12:40:06 -0700

93 lines

[git/dxtbx] main: Clean Clutter (9657a162)

DXTBX commit

Thu, 17 Aug 2023 20:08:48 +0100

124 lines

[git/cctbx_project] master: removed duplicate mean calculation code (b376d78ce4)

CCTBX commit

Thu, 17 Aug 2023 14:34:21 -0400

351 lines

[git/dxtbx] main: Remove Datablock (#570) (6185cc38)

DXTBX commit

Thu, 17 Aug 2023 11:50:04 +0100

127 lines

[git/cctbx_project] master: bug fix when adding a complex array to existing datasets (7f4dfb6c87)

CCTBX commit

Wed, 16 Aug 2023 23:40:22 +0100

135 lines

[git/cctbx_project] master: 0 works better (602cf20bc3)

CCTBX commit

Wed, 16 Aug 2023 14:00:53 -0700

91 lines

[git/cctbx_project] master: Avoid division by zero (9a51d0c64a)

CCTBX commit

Wed, 16 Aug 2023 13:56:42 -0700

118 lines

[git/cctbx_project] master: Report rotamer favored and allowed statistics (fcf19f9aea)

CCTBX commit

Wed, 16 Aug 2023 13:44:35 -0700

200 lines

[git/cctbx_project] master: Output mmCIF model in geometry_minimization. Placeholder function in the model manager. (b02e654ef5)

CCTBX commit

Wed, 16 Aug 2023 12:06:04 -0700

170 lines

[git/cctbx_project] master: Refactor out ph.as_pdb_input() usage in this case. The shift_and_box_model() treats arguments better - not changing input model. (3da8b49e9a)

CCTBX commit

Wed, 16 Aug 2023 12:05:09 -0700

270 lines

[git/dxtbx] main: Add sample to source distance to Beam (#622) (831061fe)

DXTBX commit

Wed, 16 Aug 2023 14:23:45 +0100

2037 lines

[git/cctbx_project] master: general changes including adding nproc for radius steps (616747c967)

CCTBX commit

Tue, 15 Aug 2023 16:15:18 -0700

1245 lines

[git/cctbx_project] master: Small cell fixes (#914) (df7b157872)

CCTBX commit

Tue, 15 Aug 2023 13:42:51 -0700

1004 lines

[git/cctbx_project] master: bug fix for wrong sign on bond/angles validation for json output (05807b0eb0)

CCTBX commit

Tue, 15 Aug 2023 16:29:33 -0400

466 lines

[git/cctbx_project] master: Change so auto-sharpening takes place down to 10A resolution before local averaging, as this improved some test cases. (7cab3c8dd2)

CCTBX commit

Tue, 15 Aug 2023 14:37:31 +0100

97 lines

[git/dxtbx] main: Fix undefined behaviour from unthrown error (#656) (730b8d56)

DXTBX commit

Tue, 15 Aug 2023 11:16:48 +0000

126 lines

[git/cctbx_project] master: Tighten sigmaSphericityBeta to avoid unreasonable levels of anisotropy. New value is generally better in the published set of em_placement tests. (ba3f863266)

CCTBX commit

Tue, 15 Aug 2023 09:47:32 +0100

425 lines

[git/cctbx_project] master: bug fix: use correct values for s/k (41ed81d2fa)

CCTBX commit

Mon, 14 Aug 2023 14:30:03 -0700

669 lines

[git/dxtbx] main: dxtbx 3.16.0 (80787415)

DXTBX commit

Mon, 14 Aug 2023 22:20:21 +0100

100 lines

[git/dxtbx] main: NXmx general writer (#615) (0554ef39)

DXTBX commit

Mon, 14 Aug 2023 19:26:01 +0100

2833 lines

[git/dxtbx] main: dxtbx 3.16.0 Changelog (f464b576)

DXTBX commit

Mon, 14 Aug 2023 10:25:02 +0100

434 lines

[git/dxtbx] main: Bump version: 3.16.dev → 3.17.dev (df3e0b69)

DXTBX commit

Mon, 14 Aug 2023 10:25:02 +0100

111 lines

[git/dxtbx] tag 'v3.16.0' created

DXTBX commit

Mon, 14 Aug 2023 10:25:02 +0100

40 lines

[git/cctbx_project] master: mmtbx: update probe and reduce paths for kinemage (bc10f9ba78)

CCTBX commit

Mon, 14 Aug 2023 01:15:14 -0700

150 lines

[git/dxtbx] main: Clean Clutter (eda7169c)

DXTBX commit

Sun, 13 Aug 2023 05:11:09 +0100

92 lines

[git/cctbx_project] master: neutralize scatterers: add tests (e211b058eb)

CCTBX commit

Fri, 11 Aug 2023 23:05:05 -0700

351 lines

[git/cctbx_project] master: remove debugging leftover (4711409e9d)

CCTBX commit

Fri, 11 Aug 2023 16:26:12 -0700

128 lines

[git/cctbx_project] master: Fix log in cif_as_mtz, make biomt exp optional, .. (172ad4dcfa)

CCTBX commit

Fri, 11 Aug 2023 16:04:48 -0700

278 lines

[git/cctbx_project] master: Allow to control dot size (db060e0edb)

CCTBX commit

Fri, 11 Aug 2023 15:59:54 -0700

208 lines

[git/cctbx_project] master: neutralize scatterers: propagate into hierarchy and pdb_inp (8820ceab16)

CCTBX commit

Fri, 11 Aug 2023 15:06:59 -0700

120 lines

[git/cctbx_project] master: switch to using model.set_log, bug fix for rna_validate_suites (5dd268b9b1)

CCTBX commit

Fri, 11 Aug 2023 16:32:55 -0400

309 lines

[git/cctbx_project] master: Make code more forgiving of poor maps, e.g. subtomograms. (ca712cc05c)

CCTBX commit

Fri, 11 Aug 2023 15:36:11 +0100

122 lines

[git/dxtbx] main: Update CI prebuilt version of CCTBX (#655) (5e079c79)

DXTBX commit

Fri, 11 Aug 2023 12:14:14 +0000

101 lines

[git/dxtbx] main: NXmx: handle multidimensional arrays (#612) (3bc6e673)

DXTBX commit

Fri, 11 Aug 2023 09:05:16 +0000

545 lines

[git/cctbx_project] master: neutralize_scatterers: discard registry (4720493e56)

CCTBX commit

Thu, 10 Aug 2023 22:58:35 -0700

89 lines

[git/cctbx_project] master: Catch very small cell (b27e499b42)

CCTBX commit

Thu, 10 Aug 2023 16:19:44 -0600

123 lines

[git/cctbx_project] master: major reorg and tidyup of QMR (79fa31a5e0)

CCTBX commit

Thu, 10 Aug 2023 14:11:33 -0700

1396 lines

[git/cctbx_project] master: Fix typo (a773303f0a)

CCTBX commit

Thu, 10 Aug 2023 11:32:30 -0700

92 lines

[git/dxtbx] main: FormatCBFMiniEigerChessID7B2 (#649) (206c7cb2)

DXTBX commit

Thu, 10 Aug 2023 15:33:10 +0000

159 lines

[git/dxtbx] main: ESRF ID23-2 support (#651) (39c49235)

DXTBX commit

Thu, 10 Aug 2023 15:32:35 +0000

170 lines

[git/cctbx_project] master: CCTBXParser: fix file processing bug (f9db707d6f)

CCTBX commit

Wed, 9 Aug 2023 23:03:11 -0700

276 lines

[git/cctbx_project] master: hydrogenate: dont call model.select if not required (f17d6dd421)

CCTBX commit

Wed, 9 Aug 2023 22:52:23 -0700

121 lines

[git/cctbx_project] master: fix typo (a90bf17994)

CCTBX commit

Wed, 9 Aug 2023 15:41:03 -0600

92 lines

[git/cctbx_project] master: update link (ffd60fe7e9)

CCTBX commit

Wed, 9 Aug 2023 13:46:07 -0700

98 lines

[git/cctbx_project] master: Fix typos, use HETATM for AU and HOH instead of ATOM, use rcsb links (e160d1e325)

CCTBX commit

Wed, 9 Aug 2023 12:25:08 -0600

381 lines

[git/cctbx_project] master: CCTBXParser: consolidate duplicate paths when parsing files (93de07eedb)

CCTBX commit

Wed, 9 Aug 2023 11:06:42 -0700

147 lines

[git/cctbx_project] master: cctbx: ensure order in test values (c6c2b31633)

CCTBX commit

Wed, 9 Aug 2023 09:23:40 -0700

94 lines

[git/cctbx_project] master: Modernize test: use map_model_manager instead of lower-level objects (4bff6dd34b)

CCTBX commit

Tue, 8 Aug 2023 16:33:28 -0700

839 lines

[git/cctbx_project] master: proper case for elements (906447b7b8)

CCTBX commit

Tue, 8 Aug 2023 16:15:32 -0700

93 lines

[git/cctbx_project] master: Add discussion of PDB hierarchy and PDB and mmCIF files (7ddf723b2b)

CCTBX commit

Tue, 8 Aug 2023 15:41:14 -0600

460 lines

[git/cctbx_project] master: get_h_from_cc works with more files (a4476f32e5)

CCTBX commit

Tue, 8 Aug 2023 12:07:53 -0700

306 lines

[git/cctbx_project] master: Summary of the problem: The Phenix mmcif writer splits chains at end of protein/nucleic acid polymers, between ligands, and at the end of blocks of waters, creating new label_asym_id values to indicate these locations as chain breaks, but keeping the same auth_asym_id (chain_id) values. In particular, if a hierarchy has multiple protein or nucleic acid chains with the same chain_id value, the mmcif text will have different label_asym_id values but the same auth_asym_id for each of these chains. On reading an mmcif file, the builder begins a new chain when the auth_asym_id (chain_id) changes (or a new model is found). It ignores the label_asym_id values ( unless there is no auth_asym_id). This means that the information about chain breaks is lost, and all contiguous chains with the same chain_id are now contained in a single chain. Solution: Minor changes to mmcif builder to start a new chain when the label_asym_id changes and the auth_asym_id (chain_id) remains the same. Applies only when the previous residue was protein or nucleic acid. Main fix: mmcif.py (start new chain when label_asym_id changes; method to identify whether previous residue was either protein or nucleic acid, consistent with method used to do the same thing in mmcif writer in hierarchy.py). Fixes to tests: These are all simple additions of TER records at the end of protein/ nucleic acid chains in PDB format files. This is the standard for PDB files. Additionally, mmcif input files are modified to fix label_asym_id for ligands (changes each ligand), compatible with mmcif standard. (003f38ba5f)

CCTBX commit

Tue, 8 Aug 2023 11:48:52 -0700

505 lines

[git/cctbx_project] master: iotbx: mark test to expected failure (a4c5026691)

CCTBX commit

Tue, 8 Aug 2023 06:22:24 -0700

105 lines

[git/dxtbx] main: Fix bit depth for Eiger / NXmx for i19-2 (#652) (d516f204)

DXTBX commit

Tue, 8 Aug 2023 14:09:39 +0100

149 lines

[git/cctbx_project] master: Add test for conversion between mmcif and hierarchy for case where there are multiple chains with same chain_id. Currently fails (f435c9c252)

CCTBX commit

Mon, 7 Aug 2023 12:44:47 -0700

91 lines

[git/cctbx_project] master: Add regression test for mmcif to and from hierarchy (8495a3ac59)

CCTBX commit

Mon, 7 Aug 2023 12:41:47 -0700

634 lines

[git/cctbx_project] master: Fix setting of shift_cart for ncs_object upon change of unit_cell_crystal_symmetry in map_manager (480272d6ca)

CCTBX commit

Mon, 7 Aug 2023 12:54:32 -0600

345 lines

[git/cctbx_project] master: When slicing refls for hopper into 1 file/expt, reset_ids to 0 in refl (8d8b34bd8c)

CCTBX commit

Fri, 4 Aug 2023 19:24:51 -0700

93 lines

[git/cctbx_project] master: Add generate_map for map-model fsc (6ff80be817)

CCTBX commit

Fri, 4 Aug 2023 19:59:15 -0600

127 lines

[git/cctbx_project] master: Default to model_based if no info (5ba1b71f5f)

CCTBX commit

Fri, 4 Aug 2023 13:07:48 -0600

119 lines

[git/cctbx_project] master: libtbx: add context manager for timing code blocks (3f30bcb18a)

CCTBX commit

Fri, 4 Aug 2023 11:19:30 -0700

117 lines

[git/dxtbx] main: Add probe type to the Beam model (#647) (4783b2c7)

DXTBX commit

Fri, 4 Aug 2023 16:48:36 +0100

1771 lines

[git/cctbx_project] master: fix typo (b5a81e9c21)

CCTBX commit

Fri, 4 Aug 2023 05:52:35 -0700

91 lines

[git/cctbx_project] master: major change to QMR PHIL options (0667ab8d28)

CCTBX commit

Thu, 3 Aug 2023 13:46:57 -0700

1147 lines

[git/cctbx_project] master: Move get_selection_string_from_model to cctbx and write out selection strings for process_predicted_model (e6101ddc4d)

CCTBX commit

Thu, 3 Aug 2023 10:37:49 -0600

333 lines

[git/dxtbx] main: FormatROD - Multi-axis goniometer, faster decompression (#653) (5c27616f)

DXTBX commit

Thu, 3 Aug 2023 17:01:39 +0100

1334 lines

[git/dxtbx] main: Merge pull request #653 from dials/FormatROD-multiaxis (e91a6f53)

DXTBX commit

Thu, 3 Aug 2023 16:53:20 +0100

88 lines

[git/dxtbx] main: Merge branch 'main' into FormatROD-multiaxis (1995c94f)

DXTBX commit

Thu, 3 Aug 2023 09:42:56 +0100

76 lines

[git/cctbx_project] master: iotbx: clean clutter (3129f5d371)

CCTBX commit

Wed, 2 Aug 2023 16:49:08 -0700

65 lines

[git/cctbx_project] master: Remove segid_as_auth_segid from pdb_as_cif (f5c5a1b603)

CCTBX commit

Wed, 2 Aug 2023 14:56:30 -0600

136 lines

[git/cctbx_project] master: Return hierarchy info as group_args in pdb_or_mmcif_string_as_hierarchy (961d9775b4)

CCTBX commit

Wed, 2 Aug 2023 12:45:21 -0700

295 lines

[git/cctbx_project] master: Update web site for translation of ATOM records (7fca339121)

CCTBX commit

Wed, 2 Aug 2023 08:41:34 -0700

92 lines

[git/dxtbx] main: FormatROD: clarified function names (5cb88a9c)

DXTBX commit

Wed, 2 Aug 2023 22:18:32 +0900

378 lines

[git/dxtbx] main: Add polychromatic beam (#621) (ef5f9aba)

DXTBX commit

Wed, 2 Aug 2023 14:15:44 +0100

2141 lines

[git/cctbx_project] master: Fix typo (454345edd3)

CCTBX commit

Wed, 2 Aug 2023 05:57:57 -0700

93 lines

[git/dxtbx] main: FormatROD: fix variable names in a comment to match the code (604ea58a)

DXTBX commit

Wed, 2 Aug 2023 18:18:55 +0900

97 lines

[git/dxtbx] main: Merge branch 'FormatROD-multiaxis' of github.com:dials/dxtbx into FormatROD-multiaxis (00bc2999)

DXTBX commit

Wed, 2 Aug 2023 18:07:13 +0900

67 lines

[git/dxtbx] main: FormatROD: added comments about two's complement representation (094fc7b7)

DXTBX commit

Wed, 2 Aug 2023 18:05:19 +0900

152 lines

[git/dxtbx] main: Rename newsfragments/xxx.feature to newsfragments/653.feature (af1f9ecd)

DXTBX commit

Wed, 2 Aug 2023 09:04:12 +0000

94 lines

[git/dxtbx] main: News (c73abba0)

DXTBX commit

Wed, 2 Aug 2023 10:01:43 +0100

76 lines

[git/cctbx_project] master: Add support for segid in PDB<==>mmCIF (f4895de5cf)

CCTBX commit

Tue, 1 Aug 2023 15:50:54 -0700

619 lines

[git/cctbx_project] master: Molprobity2 debug9 (#913) (949d3726cb)

CCTBX commit

Tue, 1 Aug 2023 15:05:14 -0400

1942 lines

[git/cctbx_project] master: Refactor `small_cell_index_detail` (#912) (ee1a261f33)

CCTBX commit

Tue, 1 Aug 2023 10:36:01 -0700

3259 lines

[git/cctbx_project] master: added mp_validate_bonds (9e107d3e31)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

2012 lines

[git/cctbx_project] master: added json output to cablam (17c816e0bd)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

2629 lines

[git/cctbx_project] master: adding chiral_validation program and json output (e4d5d04844)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

2003 lines

[git/cctbx_project] master: added merge dict function to avoid usage of unpacking operator (bb7d1f4211)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

280 lines

[git/cctbx_project] master: updated rna_validate to use new suitealyze, updated test code (6acc932131)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

911 lines

[git/cctbx_project] master: small change to reuse some clashscore code in undowser (8ccb3e5132)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

129 lines

[git/cctbx_project] master: initial add of json output to suitename (fa59277f81)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

1860 lines

[git/cctbx_project] master: adding json to cbetadev (53e1010480)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

539 lines

[git/cctbx_project] master: initial undowser commit (b7b60c45ce)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

89 lines

[git/cctbx_project] master: temp switch rna_validate to use old suitename (eb0794e240)

CCTBX commit

Mon, 31 Jul 2023 19:52:02 -0400

96 lines

[git/cctbx_project] master: added rna_suitelyze program (1e687a6462)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

308 lines

[git/cctbx_project] master: new cctbx-like interface for suitename validation (17531b070d)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

1348 lines

[git/cctbx_project] master: adding json output to rotalyze (3def84118a)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

672 lines

[git/cctbx_project] master: updated ramalyze json to output multi-model summary (d318eefd8f)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

456 lines

[git/cctbx_project] master: rename suitename program and update commandline to match (4e3fcdb30b)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

1189 lines

[git/cctbx_project] master: rename suitename commandline (0583e89bb9)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

131 lines

[git/cctbx_project] master: updated summary results for json output for clashscore and rotalyze (d6ebf8ecf8)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

521 lines

[git/cctbx_project] master: add rna_puckerlyze program (34c618637a)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

299 lines

[git/cctbx_project] master: added json output to ramalyze (170c93b88b)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

678 lines

[git/cctbx_project] master: phenix.suitename now invokes the new suitealyze interface (487feb5f2b)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

549 lines

[git/cctbx_project] master: convert rna_validate to use program template (7180c45301)

CCTBX commit

Mon, 31 Jul 2023 19:52:01 -0400

429 lines

[git/cctbx_project] master: allow nonstandard RNA bases in linked residues (15485ffad3)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/cctbx_project] master: omegalyze json output updated to deal with models, updates to test code (deaf4321cf)

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Mon, 31 Jul 2023 19:52:01 -0400

491 lines

[git/cctbx_project] master: added json output to rna_validate (d09a37e5cb)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/cctbx_project] master: rename puckerlyze and suitelyze to rna_validate_puckers and rna_validate_suites (dfda3d8270)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/cctbx_project] master: omegalyze json added (7551594e90)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/cctbx_project] master: adding rna_validate_bonds program and command_line (155d0d4ef3)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/cctbx_project] master: usage text was printed regardless of need (27dedcb6ce)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/cctbx_project] master: adding json to clashscore (84a77ebf0a)

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Mon, 31 Jul 2023 19:52:01 -0400

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[git/dxtbx] main: FormatROD: Ported the decompression routine to C++ (50x faster!) (89fc12d6)

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Mon, 31 Jul 2023 16:10:02 +0900

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[git/dxtbx] main: FormatROD: Use a multiaxis goniometer model to allow simultaneous indexing of multiple scans (4ab3a8f2)

DXTBX commit

Fri, 28 Jul 2023 21:05:12 +0900

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[git/dxtbx] main: FormatROD: sorted out coordinate system, removing adhoc negations (TODO: validate the handedness by anomalous signals) (08a49c1a)

DXTBX commit

Fri, 28 Jul 2023 16:41:30 +0900

495 lines

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