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December 2017


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[git/cctbx] master: First version of documentation for F to G conversion, referred to in section B.3 of the Waterman (2016) paper. (3b2081b05)

CCTBX commit

Fri, 29 Dec 2017 21:18:37 -0800

472 lines

Jenkins 5a cctbx Tests build 5644 Fixed

DLS Jenkins

Sat, 23 Dec 2017 23:01:25 +0000

37 lines

[git/cctbx] master: clean clutter (cd1c6b778)

CCTBX commit

Sat, 23 Dec 2017 15:55:08 -0700

48 lines

Jenkins 5a cctbx Tests build 5643 Unstable

DLS Jenkins

Sat, 23 Dec 2017 22:49:22 +0000

34 lines

[git/cctbx] master: Make default ncs helical tolerances match find_ncs.py (e7bbebb1a)

CCTBX commit

Sat, 23 Dec 2017 14:43:15 -0800

268 lines

[git/cctbx] master: Update tests (bc318f24d)

CCTBX commit

Fri, 22 Dec 2017 19:28:45 -0800

84 lines

[git/cctbx] master: Catch case where sequence is protein but listed as AAAAAAAAAAAAA (28b27a457)

CCTBX commit

Fri, 22 Dec 2017 19:14:02 -0800

261 lines

[git/cctbx] master: The nanoBragg class function to_smv_format() has been ported to Python. This allows considerably more flexibility. Options are added to write the rotation matrix to the SMV header, as well as a user-defined string with extra information, and also to write gz-compressed SMV files readable by DIALS. (7b63622a9)

CCTBX commit

Thu, 21 Dec 2017 16:39:21 -0800

609 lines

[git/cctbx] master: Including the definition of default_buffer_size in more than one object file appears to preclude linkage of the objects together. Instead, define it only where it is needed in meta_ext.cpp. (2d93efd55)

CCTBX commit

Thu, 21 Dec 2017 16:39:21 -0800

110 lines

[git/cctbx] master: 12% pdb_interpretation speedup (4677c2fd7)

CCTBX commit

Thu, 21 Dec 2017 16:36:11 -0800

848 lines

[git/cctbx] master: clean clutter (38dccddb9)

CCTBX commit

Thu, 21 Dec 2017 14:07:16 -0800

48 lines

[git/cctbx] master: Allow segment_and_split_map to recognize that unit cell has changed in map_box (57ae5ecf2)

CCTBX commit

Thu, 21 Dec 2017 13:55:55 -0800

233 lines

[git/cctbx] master: Add OK (b6df48a6c)

CCTBX commit

Wed, 20 Dec 2017 16:02:41 -0800

92 lines

[git/cctbx] master: Fix typo (e2375805d)

CCTBX commit

Wed, 20 Dec 2017 16:00:47 -0800

80 lines

Jenkins 5a cctbx Tests build 5630 Fixed

DLS Jenkins

Wed, 20 Dec 2017 18:45:08 +0000

36 lines

[git/cctbx] master: decide on whether to use points outside cell based on use_sg_symmetry (09f082d1d)

CCTBX commit

Wed, 20 Dec 2017 10:44:45 -0800

94 lines

[git/cctbx] master: Use .crystal_symmetry() method of map reader. Fix test. (c02d40154)

CCTBX commit

Wed, 20 Dec 2017 10:39:27 -0800

129 lines

[git/cctbx] master: Set defaults. (d0f707ace)

CCTBX commit

Wed, 20 Dec 2017 09:53:26 -0800

147 lines

Jenkins 5a cctbx Tests build 5628 Unstable

DLS Jenkins

Wed, 20 Dec 2017 17:50:01 +0000

34 lines

[git/cctbx] master: Add three options to compute RSR gradients. (a0132ccb4)

CCTBX commit

Wed, 20 Dec 2017 09:40:00 -0800

826 lines

[git/cctbx] master: Work-around for a bad map file that contains inconsistent box information. (1e452f911)

CCTBX commit

Wed, 20 Dec 2017 06:01:53 -0800

100 lines

[git/cctbx] master: Test for remove_residue_groups_with_atoms_on_special_positions_selective (e6b662a1e)

CCTBX commit

Wed, 20 Dec 2017 06:01:53 -0800

218 lines

[git/cctbx] master: fix typo (7c88f41f9)

CCTBX commit

Tue, 19 Dec 2017 15:23:50 -0800

77 lines

[git/cctbx] master: clean clutter (9800199f8)

CCTBX commit

Tue, 19 Dec 2017 14:14:00 -0800

67 lines

[git/cctbx] master: clean clutter (6973ff3b9)

CCTBX commit

Tue, 19 Dec 2017 14:13:14 -0800

48 lines

[git/cctbx] master: clean clutter (97c3be07a)

CCTBX commit

Tue, 19 Dec 2017 14:12:38 -0800

48 lines

[git/cctbx] master: Update ncs copies with helical ops in segment_and_split (f78f8422b)

CCTBX commit

Tue, 19 Dec 2017 15:02:44 -0700

80 lines

[git/cctbx] master: remove ?? from sequence and fix output (d6f5b2658)

CCTBX commit

Tue, 19 Dec 2017 12:32:43 -0800

92 lines

[git/cctbx] master: Be sure to be able to get au if necessary (15556b5b6)

CCTBX commit

Tue, 19 Dec 2017 12:18:07 -0800

380 lines

[git/cctbx] master: make sequence reading consistent (2fb0d43f7)

CCTBX commit

Tue, 19 Dec 2017 08:38:27 -0800

257 lines

[git/cctbx] master: minor printout change (51a5f49b2)

CCTBX commit

Tue, 19 Dec 2017 07:50:24 -0800

70 lines

[git/cctbx] master: Allow chain groupings like AAB in extract_unique_part_of_hierarchy and extract_unique_part_of_sequences (3aaea9d64)

CCTBX commit

Tue, 19 Dec 2017 08:39:37 -0700

1130 lines

[git/cctbx] master: mmtbx.prepare_pdb_deposition: More consistent method for separating file extension (99f47a88f)

CCTBX commit

Tue, 19 Dec 2017 12:29:40 +0100

101 lines

[git/cctbx] master: Putative Levenberg-Marquardt minimzer for sdfac_refine. Not quite right yet. (821150940)

CCTBX commit

Mon, 18 Dec 2017 16:28:25 -0800

342 lines

[git/cctbx] master: For lbfgs sdfac_refine, refine the sd terms directly instead of the square of these terms. (1df04973c)

CCTBX commit

Mon, 18 Dec 2017 16:21:30 -0800

240 lines

[git/cctbx] master: Refactor or sdfac_refine in prep for LevMar implementation (a8ff30259)

CCTBX commit

Mon, 18 Dec 2017 15:47:54 -0800

1279 lines

[git/cctbx] master: Add a couple of missing include directives (a309caf0b)

CCTBX commit

Mon, 18 Dec 2017 15:33:40 +0000

105 lines

Jenkins 5a cctbx Tests build 5610 Fixed

DLS Jenkins

Mon, 18 Dec 2017 15:10:18 +0000

37 lines

[git/cctbx] master: bug fix: assert_is_similar_symmetry not always passed along (cbf5a620d)

CCTBX commit

Mon, 18 Dec 2017 15:06:23 +0000

108 lines

Jenkins 5a cctbx Tests build 5609 Unstable

DLS Jenkins

Mon, 18 Dec 2017 04:44:11 +0000

33 lines

[git/cctbx] master: mmtbx.prepare_pdb_deposition: Change default output filename (dd5a96d3d)

CCTBX commit

Sun, 17 Dec 2017 22:47:40 +0100

83 lines

Jenkins 5a cctbx Tests build 5607 Fixed

DLS Jenkins

Sun, 17 Dec 2017 19:10:06 +0000

37 lines

[git/cctbx] master: Fix typo (8722de0fe)

CCTBX commit

Sun, 17 Dec 2017 11:04:52 -0800

81 lines

[git/cctbx] master: wait to check in use_sg_symmetry (426f804db)

CCTBX commit

Sun, 17 Dec 2017 09:41:52 -0800

93 lines

[git/cctbx] master: Allow out-of-cell points if use_sg_symmetry (071124e7f)

CCTBX commit

Sun, 17 Dec 2017 09:33:37 -0800

114 lines

Jenkins 5a cctbx Tests build 5604 Fixed

DLS Jenkins

Sun, 17 Dec 2017 05:21:05 +0000

38 lines

[git/cctbx] master: Fix typo (e4e9197f8)

CCTBX commit

Sun, 17 Dec 2017 05:13:45 +0000

70 lines

[git/cctbx] master: clean clutter (ad835d57e)

CCTBX commit

Sun, 17 Dec 2017 05:13:06 +0000

70 lines

Jenkins 5a cctbx Tests build 5603 Still Failing

DLS Jenkins

Sun, 17 Dec 2017 05:03:46 +0000

160 lines

Jenkins 5a cctbx Tests build 5602 Failure

DLS Jenkins

Sun, 17 Dec 2017 04:58:26 +0000

158 lines

[git/cctbx] master: mmtbx.prepare_pdb_deposition: initial rewrite with new program template (3ffda3b08)

CCTBX commit

Sun, 17 Dec 2017 04:57:04 +0000

546 lines

[git/cctbx] master: Program template: Initial code; more work will follow (b5df2f9fd)

CCTBX commit

Sun, 17 Dec 2017 04:56:11 +0000

830 lines

[git/cctbx] master: fix case where sequences are empty (4e51adc69)

CCTBX commit

Sat, 16 Dec 2017 17:56:24 -0800

77 lines

[git/cctbx] master: clean clutter (56bb013d3)

CCTBX commit

Sat, 16 Dec 2017 13:43:10 -0800

48 lines

[git/cctbx] master: Make get_ncs_from_map similar with and without point-group symmetry (562e0b8e3)

CCTBX commit

Sat, 16 Dec 2017 13:42:52 -0800

531 lines

[git/cctbx] master: clean clutter and set default of false for requiring point group or helical symmetry (2869b52e4)

CCTBX commit

Sat, 16 Dec 2017 10:42:46 -0800

274 lines

[git/cctbx] master: Fix typo in printout (32318462a)

CCTBX commit

Sat, 16 Dec 2017 09:23:14 -0800

79 lines

[git/cctbx] master: use default distance cutoff in split_model; remove excess printout (a44afbf96)

CCTBX commit

Sat, 16 Dec 2017 08:48:16 -0800

430 lines

[git/cctbx] master: Changing RuntimeError to Sorry just in case user would trigger that. Clearer error msg as well. (d775f1c77)

CCTBX commit

Fri, 15 Dec 2017 17:01:32 -0800

116 lines

[git/cctbx] master: Informative message if conflicting restraints. Fix bug with weird input geometry for alt confs. With test. (01060c499)

CCTBX commit

Fri, 15 Dec 2017 15:43:14 -0800

477 lines

[git/cctbx] master: Tidy up output and remove most of the finite differences computation (84cf272e7)

CCTBX commit

Fri, 15 Dec 2017 15:19:39 -0800

384 lines

[git/cctbx] master: Bugfix for sdfac_refine lbfgs (8c863b40b)

CCTBX commit

Fri, 15 Dec 2017 15:17:58 -0800

140 lines

[git/cctbx] master: Refactor to remove some code duplication (0357a9075)

CCTBX commit

Fri, 15 Dec 2017 14:10:59 -0800

400 lines

[git/cctbx] master: clean clutters (deb253e39)

CCTBX commit

Fri, 15 Dec 2017 13:42:45 -0800

48 lines

[git/cctbx] master: Fix import (cff7131a8)

CCTBX commit

Fri, 15 Dec 2017 13:23:11 -0800

133 lines

[git/cctbx] master: Allow another setting of I symmetry (f96c7110c)

CCTBX commit

Fri, 15 Dec 2017 13:17:27 -0800

1097 lines

[git/cctbx] master: Clean clutter (2023fc778)

CCTBX commit

Fri, 15 Dec 2017 13:15:01 -0800

67 lines

[git/cctbx] master: Add lbfgs minimzer for sdfac_refine (9635b9b5f)

CCTBX commit

Fri, 15 Dec 2017 13:00:58 -0800

985 lines

[git/cctbx] master: Bugfixes in cpp code of sdfac_refine (31607de41)

CCTBX commit

Fri, 15 Dec 2017 13:00:57 -0800

207 lines

[git/cctbx] master: Missing part of earlier commit for zeros in normal probabilty plot (5e51a98e6)

CCTBX commit

Fri, 15 Dec 2017 13:00:57 -0800

79 lines

[git/cctbx] master: Add jiffy function for to compute statistics needed downstream and clean up some code duplication (0525af6d1)

CCTBX commit

Fri, 15 Dec 2017 13:00:57 -0800

319 lines

[git/cctbx] master: Change initial values for sdfac_refine (c86a1d3a3)

CCTBX commit

Fri, 15 Dec 2017 13:00:56 -0800

230 lines

[git/cctbx] master: Rename sdfac_refine.target_function to sdfac_refine.sigma_formulation (42d6fa7ad)

CCTBX commit

Fri, 15 Dec 2017 13:00:56 -0800

176 lines

[git/cctbx] master: Clashscore: Change default for keep_hydrogens to False so that it is consistent with MolProbity (35b175d29)

CCTBX commit

Fri, 15 Dec 2017 12:34:44 -0800

102 lines

[git/cctbx] master: Fast and dirty fix. The entire functionality needs massive rewrite/refactoring. (c5e2dfab5)

CCTBX commit

Fri, 15 Dec 2017 12:30:00 -0800

96 lines

[git/cctbx] master: Update min_ncs_cc to set default at 0.75 (73db72f8c)

CCTBX commit

Fri, 15 Dec 2017 11:48:24 -0800

124 lines

[git/cctbx] master: Polygon GUI: added value for Wilson B; change default statistic value to 0 from None to prevent crashing (a0a18bd12)

CCTBX commit

Fri, 15 Dec 2017 11:05:20 -0800

155 lines

[git/cctbx] master: clean_clutter (304706128)

CCTBX commit

Fri, 15 Dec 2017 05:05:55 -0800

48 lines

[git/cctbx] master: Add remove_residue_groups_with_atoms_on_special_positions_selective method; test follows (6cbdf2c1f)

CCTBX commit

Fri, 15 Dec 2017 12:52:35 +0800

157 lines

[git/cctbx] master: Minor printout change; allow similarity in chain_comparison (44530ec00)

CCTBX commit

Thu, 14 Dec 2017 20:14:25 -0700

1047 lines

[git/cctbx] master: clean clutter (a0a55ad63)

CCTBX commit

Fri, 15 Dec 2017 11:03:28 +0800

48 lines

[git/cctbx] master: shift_to_origin method added to pdb.hierarchy (with a test) (9d5f8fa85)

CCTBX commit

Fri, 15 Dec 2017 10:46:58 +0800

180 lines

[git/cctbx] master: Find atom indices in the main copy that bump with the main copy via symmetry or periodicity. There may be several symmetry/periodicity related copies corresponding to given atom in main copy. The function returns a dictionary with keys being atom indices in main copy and values being the list of symmetry operations to generate interacting mates. (aca252ae6)

CCTBX commit

Fri, 15 Dec 2017 10:46:58 +0800

142 lines

[git/cctbx] master: Find atom indices in the main copy that bump with the main copy via symmetry or periodicity. There may be several symmetry/periodicity related copies corresponding to given atom in main copy. The function returns a dictionary with keys being atom indices in main copy and values being the list of symmetry operations to generate interacting mates. (141a1bf9a)

CCTBX commit

Fri, 15 Dec 2017 10:46:58 +0800

106 lines

[git/cctbx] master: Better atom selection cache in model - makes it possible to use 'within' in simple selections (d6a798da8)

CCTBX commit

Thu, 14 Dec 2017 16:58:12 -0800

122 lines

[git/cctbx] master: Fixes for trusted_range in the presence of IMAGE_PEDESTAL (785b564bd)

CCTBX commit

Thu, 14 Dec 2017 15:35:37 +0000

135 lines

[git/cctbx] master: clean clutter (b990b3b6f)

CCTBX commit

Thu, 14 Dec 2017 06:29:02 -0800

48 lines

[git/cctbx] master: Remove minor duplicate effort (4b73528da)

CCTBX commit

Wed, 13 Dec 2017 20:27:02 -0800

82 lines

[git/cctbx] master: Fix typo...forgot to shift ncs position (35a63895d)

CCTBX commit

Wed, 13 Dec 2017 20:07:00 -0800

167 lines

[git/cctbx] master: Allow check_ncs in segment_and_split (d872ebf6a)

CCTBX commit

Wed, 13 Dec 2017 19:32:23 -0800

448 lines

[git/cctbx] master: Teaching pdbtools to understand within keyword in selections. (be72b52ae)

CCTBX commit

Wed, 13 Dec 2017 17:24:14 -0800

302 lines

[git/cctbx] master: modernize example, use new mmCIF dictionary. The validation is not perfect, but validation for freshly downloaded 1yjp.cif is also not perfect... (3328934bb)

CCTBX commit

Wed, 13 Dec 2017 11:38:55 -0800

387 lines

[git/cctbx] master: Adding modern mmCIF model dictionary. It is not used anywhere, but I think it makes sense to have it along with ancient ones. We may actually consider deleting ancient dictionaries. (cd7d91669)

CCTBX commit

Wed, 13 Dec 2017 11:38:55 -0800

65 lines

[git/cctbx] master: Did clean clutter (71e645767)

CCTBX commit

Wed, 13 Dec 2017 09:03:16 +0000

67 lines

[git/cctbx] master: Bugfix for squared formulation of sdfac refine (b38a7070b)

CCTBX commit

Tue, 12 Dec 2017 16:55:13 -0800

85 lines

[git/cctbx] master: MolProbity: Remove redundant paramater for neutron distances (b606cfdfb)

CCTBX commit

Tue, 12 Dec 2017 15:44:30 -0800

186 lines

[git/cctbx] master: Bugfixes for reflection table version of sdfac_refine (33a90605b)

CCTBX commit

Tue, 12 Dec 2017 15:16:13 -0800

227 lines

[git/cctbx] master: Minor printout change (bf73f646c)

CCTBX commit

Tue, 12 Dec 2017 14:01:09 -0700

80 lines

[git/cctbx] master: Allow trimming of helical density to +/- 1 or 2 turns (062ae60fd)

CCTBX commit

Tue, 12 Dec 2017 13:59:35 -0700

425 lines

[git/cctbx] master: Check for presence of file (9519ff26c)

CCTBX commit

Tue, 12 Dec 2017 13:59:35 -0700

79 lines

[git/cctbx] master: clang bug fix: Avoid dereferencing of NULL pointers (95759230c)

CCTBX commit

Tue, 12 Dec 2017 12:54:23 -0800

107 lines

[git/cctbx] master: Added more output when testing FormatNexus (ebb84df73)

CCTBX commit

Tue, 12 Dec 2017 16:54:52 +0000

108 lines

[git/cctbx] master: Do not attempt to build wxPython for Python3 (d63df0f67)

CCTBX commit

Tue, 12 Dec 2017 12:50:33 +0000

80 lines

[git/cctbx] master: Forgot a space (4844b38eb)

CCTBX commit

Mon, 11 Dec 2017 17:04:01 -0800

82 lines

[git/cctbx] master: MolProbity/clashscore bug fix: Pass hydrogen and nuclear options to clashscore calculation in MolProbity for consistent results (3fb2bc87b)

CCTBX commit

Mon, 11 Dec 2017 16:49:06 -0800

230 lines

[git/cctbx] master: Revert unintended portion of last commit (49de575a4)

CCTBX commit

Mon, 11 Dec 2017 16:25:24 -0800

112 lines

[git/cctbx] master: Alternate formulation of sdfac equation using squared parameters (f8ab792e6)

CCTBX commit

Mon, 11 Dec 2017 16:09:25 -0800

411 lines

[git/cctbx] master: Better OpenMP block for nanoBragg. (d9592c2fd)

CCTBX commit

Mon, 11 Dec 2017 15:42:30 -0800

144 lines

[git/cctbx] master: Also move minimizer for refl table version (643539514)

CCTBX commit

Mon, 11 Dec 2017 15:33:34 -0800

472 lines

[git/cctbx] master: Bugfix for sdfac_refine. Get counters in sync. (1c096d1e1)

CCTBX commit

Mon, 11 Dec 2017 15:33:34 -0800

94 lines

[git/cctbx] master: sdfac_refine: move simplex minimzer object out of function definition (e8ff2c03f)

CCTBX commit

Mon, 11 Dec 2017 15:33:33 -0800

428 lines

[git/cctbx] master: missed variable renames (166f1521f)

CCTBX commit

Mon, 11 Dec 2017 23:20:18 +0000

86 lines

[git/cctbx] master: clean clutter (c3ffe8afc)

CCTBX commit

Mon, 11 Dec 2017 16:11:50 -0700

48 lines

[git/cctbx] master: fix bug in bioinformatics where line with just > was not ignored (72692011c)

CCTBX commit

Mon, 11 Dec 2017 16:10:18 -0700

92 lines

[git/cctbx] master: validation GUI table for ratamers now displays blanks instead of None for unassessible chi angles (c9d8aed46)

CCTBX commit

Mon, 11 Dec 2017 14:58:58 -0500

101 lines

[git/cctbx] master: added stoplight cutoffs for Rama Favored for the GUI validation summary page (1f9d86d36)

CCTBX commit

Mon, 11 Dec 2017 14:57:19 -0500

85 lines

[git/cctbx] master: Add dev.cxi.mpi_merge_refltable (da37e0d55)

CCTBX commit

Mon, 11 Dec 2017 10:45:49 -0800

445 lines

[git/cctbx] master: Nicer error message with images missing from sweeps (2bb437800)

CCTBX commit

Mon, 11 Dec 2017 16:37:17 +0000

118 lines

[git/cctbx] master: double duh (6d2835d12)

CCTBX commit

Mon, 11 Dec 2017 01:18:43 -0800

68 lines

[git/cctbx] master: Temporarily avoid prebuilt numpy package, see #95 for details (eb6439d7a)

CCTBX commit

Mon, 11 Dec 2017 09:12:50 +0000

238 lines

[git/cctbx] master: duh (22a22ced6)

CCTBX commit

Mon, 11 Dec 2017 00:41:31 -0800

277 lines

[git/cctbx] master: need correct path (be2dfe1e7)

CCTBX commit

Sun, 10 Dec 2017 23:55:34 -0800

84 lines

[git/cctbx] master: Remove inline classes inside OpenMP pragma structure, Centos 6 cannot parse. (cfbcd38d1)

CCTBX commit

Sun, 10 Dec 2017 21:22:40 -0800

917 lines

[git/cctbx] master: test for getting the same output from clashscore and molprobity (0a94df945)

CCTBX commit

Sun, 10 Dec 2017 19:11:51 -0800

71 lines

[git/cctbx] master: clean_clutter (861274833)

CCTBX commit

Sun, 10 Dec 2017 16:32:52 -0800

48 lines

[git/cctbx] master: Set chain type for individual fragments (18a01f654)

CCTBX commit

Sun, 10 Dec 2017 09:46:45 -0800

104 lines

[git/cctbx] master: exclude CE1 from metal linking and CD2 (7b6e68cd8)

CCTBX commit

Sat, 9 Dec 2017 20:27:50 -0800

81 lines

[git/cctbx] master: exclude CE1 from metal linking (a0bc25c08)

CCTBX commit

Sat, 9 Dec 2017 20:25:15 -0800

164 lines

[git/cctbx] master: test fix (f487781ba)

CCTBX commit

Sat, 9 Dec 2017 18:45:09 -0800

104 lines

[git/cctbx] master: remove useless output (11b20bdb9)

CCTBX commit

Sat, 9 Dec 2017 18:03:06 -0800

72 lines

[git/cctbx] master: Allow automatic splitting of chains in split_model (e5dfe9876)

CCTBX commit

Sat, 9 Dec 2017 13:40:31 -0800

247 lines

[git/cctbx] master: fix print formatting (c2347d094)

CCTBX commit

Sat, 9 Dec 2017 18:25:52 +0000

109 lines

[git/cctbx] master: OK proper fix for xia2/xia2#200 make sure that the mosflm beam always points *at* the detector (c9c2d56ed)

CCTBX commit

Sat, 9 Dec 2017 15:56:54 +0000

115 lines

[git/cctbx] master: Validation: add more Polygon statistics (510a05780)

CCTBX commit

Fri, 8 Dec 2017 17:00:31 -0800

268 lines

[git/cctbx] master: OpenMP parallelizes around the outer loop. Results invariant to OMP_NUM_THREADS. Optimal is 8 threads only. (bc9406807)

CCTBX commit

Fri, 8 Dec 2017 16:46:21 -0800

371 lines

[git/cctbx] master: OpenMP pragma works at inner loop level but there is no speedup. (8634c7948)

CCTBX commit

Fri, 8 Dec 2017 16:46:21 -0800

544 lines

[git/cctbx] master: Partial progress. Mosaicity tic now const correct. (0efde3e78)

CCTBX commit

Fri, 8 Dec 2017 16:46:20 -0800

711 lines

[git/cctbx] master: Get rid of compile warnings. (28b7e5987)

CCTBX commit

Fri, 8 Dec 2017 16:46:20 -0800

84 lines

[git/cctbx] master: Work in progress. Develop an alternate add_nanoBragg_spots() to support OpenMP. (09f99a1c1)

CCTBX commit

Fri, 8 Dec 2017 16:46:20 -0800

1135 lines

[git/cctbx] master: Rename cpp file (095c6e2d7)

CCTBX commit

Fri, 8 Dec 2017 16:08:15 -0800

650 lines

[git/cctbx] master: Implementation of errors_from_sample_residuals using reflection tables (4643e1d12)

CCTBX commit

Fri, 8 Dec 2017 16:08:15 -0800

238 lines

[git/cctbx] master: Implementation of sdfac_refine using reflection tables. (4d13bd6c8)

CCTBX commit

Fri, 8 Dec 2017 16:08:14 -0800

918 lines

[git/cctbx] master: Adapt tests. (22605a8a8)

CCTBX commit

Fri, 8 Dec 2017 14:02:57 -0800

504 lines

[git/cctbx] master: Adapt reset of self.x when there is xyz selection. (2c95feffd)

CCTBX commit

Fri, 8 Dec 2017 10:29:46 -0800

133 lines

[git/cctbx] master: Make selection of riding manager available in model. (73d81608a)

CCTBX commit

Fri, 8 Dec 2017 10:27:22 -0800

139 lines

[git/cctbx] master: Clean clutter (1bfa97dfe)

CCTBX commit

Thu, 7 Dec 2017 16:15:29 -0700

48 lines

[git/cctbx] master: chain_comparison allow selection of close/far parts (1f6d50ca5)

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Thu, 7 Dec 2017 14:07:11 -0800

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[git/cctbx] master: More bug fixes for dev.cxi.merge_refltable (4629681e2)

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Thu, 7 Dec 2017 10:32:56 -0800

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[git/cctbx] master: Bugfix for dev.cxi.merge_refltable when not using postrefinement (6a113573f)

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Thu, 7 Dec 2017 09:10:32 -0800

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[git/cctbx] master: Bugfixes for dev.cxi.merge_refltable (0514baed7)

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Thu, 7 Dec 2017 08:50:26 -0800

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[git/cctbx] master: Disable PyRTF for Python3 builds. See #108 (3892950b1)

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Thu, 7 Dec 2017 15:00:36 +0000

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[git/cctbx] master: Mask=>Bool; fixes #107 (2f8c03b1a)

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Thu, 7 Dec 2017 09:55:30 +0000

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[git/cctbx] master: Bugfix for cxi.merge postrefinment rs_hybrid (81c8c5e8d)

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Wed, 6 Dec 2017 16:18:25 -0800

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[git/cctbx] master: More sdfac_refine improvements (d743f38ee)

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Wed, 6 Dec 2017 16:14:17 -0800

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[git/cctbx] master: For sdfac_refine, better handle sigma < 0 in compute_normalized_deviations (32f51768b)

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Wed, 6 Dec 2017 16:14:17 -0800

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[git/cctbx] master: MI: fix: geometry minimization wasn't updating coordinates. (0f2cf3244)

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Wed, 6 Dec 2017 15:57:37 -0800

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[git/cctbx] master: added error output (852feecd9)

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Wed, 6 Dec 2017 15:32:36 -0800

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[git/cctbx] master: Rearrange. Avoid -if x in list- for speed gain. (c9f877a78)

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Wed, 6 Dec 2017 15:24:11 -0800

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[git/cctbx] master: Refactor error modeling in cxi.merge by moving sdfac_refine and errors_from_sample_residuals into separate class files (24bf9cd02)

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Wed, 6 Dec 2017 15:20:28 -0800

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[git/cctbx] master: macOS installer: Fixes bug where SSL_CERT_FILE is not correct when creating the graphical installer for macOS (c2b86defb)

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Wed, 6 Dec 2017 14:55:40 -0800

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[git/cctbx] master: output reasonable precision in mmCIF (70d3a4def)

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Wed, 6 Dec 2017 13:18:51 -0800

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[git/cctbx] master: Make deep_copy more compact. (1f06c8c35)

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Wed, 6 Dec 2017 11:43:50 -0800

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[git/cctbx] master: clean clutter (4ffbb7186)

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Wed, 6 Dec 2017 10:21:14 -0800

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[git/cctbx] master: Updated help string in cell_rejection (cd28f1cd3)

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Wed, 6 Dec 2017 09:54:43 -0800

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[git/cctbx] master: Updated cxi_merge.py for cell rejection (79c1d9424)

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Wed, 6 Dec 2017 09:54:43 -0800

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[git/cctbx] master: Update function for riding H manager. (dc04ffe9a)

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Wed, 6 Dec 2017 09:53:20 -0800

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[git/cctbx] master: Alternate interface for setting the A-matrix, critical for XFEL simulations (3514d25cc)

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Tue, 5 Dec 2017 20:36:03 -0800

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[git/cctbx] master: cleanup (8cc521def)

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Tue, 5 Dec 2017 17:05:08 -0800

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[git/cctbx] master: Use old idealize_h for now until water can be parameterized. (8fdcfd773)

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Tue, 5 Dec 2017 16:57:42 -0800

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[git/cctbx] master: new test (37035e307)

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Tue, 5 Dec 2017 16:33:27 -0800

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[git/cctbx] master: Cleanup. (ccad98753)

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Tue, 5 Dec 2017 15:13:56 -0800

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[git/cctbx] master: changes to validation gui column widths for readability (441371b73)

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Tue, 5 Dec 2017 16:55:18 -0500

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[git/cctbx] master: safeguarding (a062f37e0)

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Tue, 5 Dec 2017 12:02:46 -0800

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[git/cctbx] master: Added function to experiment list to nullify single file reader (9e2b4e35a)

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Tue, 5 Dec 2017 13:31:03 +0000

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[git/cctbx] master: Expanding MTRIX by default in model. Leads to phenix_regression/model_vs_data/run_tests.py failing due to bad matrices.... How come it was ok before? (2401ccd98)

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Mon, 4 Dec 2017 19:09:55 -0800

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[git/cctbx] master: Select method for riding H manager. With test. (15dd588f6)

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Mon, 4 Dec 2017 15:03:13 -0800

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[git/cctbx] master: Increase parameters saved by cxi.merge and dev.cxi.merge_refltable (a8e9bb9f4)

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Mon, 4 Dec 2017 12:48:41 -0800

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[git/cctbx] master: Add test for deep_copy in riding H manager. (a54d14e5a)

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Sun, 3 Dec 2017 22:38:47 -0800

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[git/cctbx] master: Deep_copy for riding_H manager. (24be3d71c)

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Sun, 3 Dec 2017 21:00:31 -0800

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[git/cctbx] master: Slight re-arrangement. (1ab33b130)

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Sun, 3 Dec 2017 17:46:18 -0800

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[git/cctbx] master: Cleanup. (1aa16fadc)

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Sun, 3 Dec 2017 17:27:40 -0800

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[git/cctbx] master: Tests for getter, setter and copy in riding_coefficients. (b40951c9c)

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Sun, 3 Dec 2017 15:06:46 -0800

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[git/cctbx] master: Make setter for riding_coefficients. (c98e8b222)

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Sun, 3 Dec 2017 14:26:08 -0800

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[git/cctbx] master: clean clutter (b2cad72a0)

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Sun, 3 Dec 2017 06:38:15 -0800

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[git/cctbx] master: Ignore refinement errors in absolute scaling in auto_sharpen; fix minor bugs in chain_comparison (030449909)

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Sun, 3 Dec 2017 06:21:22 -0800

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[git/cctbx] master: remove unused imports (9cc20f6ab)

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Sat, 2 Dec 2017 16:57:45 -0800

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[git/cctbx] master: remove unused imports (2bf1a1e0c)

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Sat, 2 Dec 2017 16:49:08 -0800

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[git/cctbx] master: Download OpenSSL from dependencies repository. Partially reverts commit 3f979fff16d0e15a664457ee506452a828e9d187. (3a1b0e860)

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Sun, 3 Dec 2017 00:44:41 +0000

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[git/cctbx] master: This test now brakes due to riding model not fucntioning correctly in this case. For Dorothee to fix. (c5fd2d02f)

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Sat, 2 Dec 2017 16:33:56 -0800

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[git/cctbx] master: Test to exercise metal coordination links. Currently fails. For Nigel to fix. (6ba1c0e3a)

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Sat, 2 Dec 2017 16:33:56 -0800

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[git/cctbx] master: This does not Reduce anymore. (e690e3e05)

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Sat, 2 Dec 2017 16:33:56 -0800

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[git/cctbx] master: Remove Reduce-based .idealize_h(): there is no point to have it given we have Dorothee's riding model! This will brake something. (f68801dcf)

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Sat, 2 Dec 2017 16:33:56 -0800

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[git/cctbx] master: fix clutter (75b31c0cf)

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Sat, 2 Dec 2017 05:19:17 -0800

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[git/cctbx] master: Set region_weight_default=30 (was 40 or resolution_dependent); allow iteration_fraction as parameter (335461490)

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Fri, 1 Dec 2017 20:32:51 -0800

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[git/cctbx] master: ss_idealization is now aware of cartesian NCS. With test. (8d4858850)

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Fri, 1 Dec 2017 18:16:25 -0800

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[git/cctbx] master: OpenSSL: Update to 1.0.2m Change download URL to openssl.org (3f979fff1)

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Fri, 1 Dec 2017 16:52:56 -0800

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[git/cctbx] master: Some cleanup (22a041c9d)

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Fri, 1 Dec 2017 12:17:17 -0800

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[git/cctbx] master: Fix for rare occasions where chains have different ions and they are mixed in alignment procedure. Therefore additional filter is added. In such cases some legitimate ion mathes could be missed. (89471e512)

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Fri, 1 Dec 2017 12:01:03 -0800

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[git/cctbx] master: Deprecate experimental programs for merging (30f4287c9)

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Fri, 1 Dec 2017 11:57:16 -0800

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[git/cctbx] master: Remove the dependency of mpi merge on single node merge (0a5703246)

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Fri, 1 Dec 2017 11:50:48 -0800

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[git/cctbx] master: Some refactoring. (320d1fcd1)

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Fri, 1 Dec 2017 10:42:17 -0800

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[git/cctbx] master: Revert "Rescope show_overall_observations as a static method in cxi_merge.scaling_manager" (4510d9435)

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Fri, 1 Dec 2017 10:15:32 -0800

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[git/cctbx] master: Changes for saving per-frame information in a separate table during merging (b48abb980)

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Fri, 1 Dec 2017 09:14:50 -0800

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[git/cctbx] master: Remove old comment, and make single_reflection_histograms a static method (7ba7f822d)

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Fri, 1 Dec 2017 08:56:58 -0800

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[git/cctbx] master: Rescope show_overall_observations as a static method in cxi_merge.scaling_manager (e1dec1822)

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Fri, 1 Dec 2017 08:56:58 -0800

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[git/cctbx] master: Add development version of cxi.merge that uses a reflection table (86723b7f7)

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Fri, 1 Dec 2017 08:56:58 -0800

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[git/cctbx] master: found this investigating an issue (e1a4b73ba)

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Fri, 1 Dec 2017 11:50:28 +0000

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[git/cctbx] master: Should be a fix for pickling bug (6beefb136)

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Thu, 30 Nov 2017 16:37:27 -0800

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[git/cctbx] master: Make the base class compatible with the derived class using MPI. (391b08b93)

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Thu, 30 Nov 2017 15:57:19 -0800

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[git/cctbx] master: Refactored the MPI version to inherit from the base Script. (12a83571e)

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Thu, 30 Nov 2017 15:57:18 -0800

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