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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)
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Fri, 29 Dec 2017 21:18:37 -0800 |
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Jenkins 5a cctbx Tests build 5644 Fixed
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Sat, 23 Dec 2017 23:01:25 +0000 |
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[git/cctbx] master: clean clutter (cd1c6b778)
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Sat, 23 Dec 2017 15:55:08 -0700 |
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Jenkins 5a cctbx Tests build 5643 Unstable
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Sat, 23 Dec 2017 22:49:22 +0000 |
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[git/cctbx] master: Make default ncs helical tolerances match find_ncs.py (e7bbebb1a)
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Sat, 23 Dec 2017 14:43:15 -0800 |
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[git/cctbx] master: Update tests (bc318f24d)
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Fri, 22 Dec 2017 19:28:45 -0800 |
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[git/cctbx] master: Catch case where sequence is protein but listed as AAAAAAAAAAAAA (28b27a457)
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Fri, 22 Dec 2017 19:14:02 -0800 |
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[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)
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Thu, 21 Dec 2017 16:39:21 -0800 |
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[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)
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Thu, 21 Dec 2017 16:39:21 -0800 |
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[git/cctbx] master: 12% pdb_interpretation speedup (4677c2fd7)
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Thu, 21 Dec 2017 16:36:11 -0800 |
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[git/cctbx] master: clean clutter (38dccddb9)
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Thu, 21 Dec 2017 14:07:16 -0800 |
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[git/cctbx] master: Allow segment_and_split_map to recognize that unit cell has changed in map_box (57ae5ecf2)
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Thu, 21 Dec 2017 13:55:55 -0800 |
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[git/cctbx] master: Add OK (b6df48a6c)
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Wed, 20 Dec 2017 16:02:41 -0800 |
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[git/cctbx] master: Fix typo (e2375805d)
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Wed, 20 Dec 2017 16:00:47 -0800 |
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Jenkins 5a cctbx Tests build 5630 Fixed
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[git/cctbx] master: decide on whether to use points outside cell based on use_sg_symmetry (09f082d1d)
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Wed, 20 Dec 2017 10:44:45 -0800 |
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[git/cctbx] master: Use .crystal_symmetry() method of map reader. Fix test. (c02d40154)
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Wed, 20 Dec 2017 10:39:27 -0800 |
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[git/cctbx] master: Set defaults. (d0f707ace)
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Wed, 20 Dec 2017 09:53:26 -0800 |
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Jenkins 5a cctbx Tests build 5628 Unstable
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[git/cctbx] master: Add three options to compute RSR gradients. (a0132ccb4)
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Wed, 20 Dec 2017 09:40:00 -0800 |
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[git/cctbx] master: Work-around for a bad map file that contains inconsistent box information. (1e452f911)
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Wed, 20 Dec 2017 06:01:53 -0800 |
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[git/cctbx] master: Test for remove_residue_groups_with_atoms_on_special_positions_selective (e6b662a1e)
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Wed, 20 Dec 2017 06:01:53 -0800 |
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[git/cctbx] master: fix typo (7c88f41f9)
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[git/cctbx] master: clean clutter (9800199f8)
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[git/cctbx] master: clean clutter (6973ff3b9)
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[git/cctbx] master: clean clutter (97c3be07a)
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Tue, 19 Dec 2017 14:12:38 -0800 |
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[git/cctbx] master: Update ncs copies with helical ops in segment_and_split (f78f8422b)
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Tue, 19 Dec 2017 15:02:44 -0700 |
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[git/cctbx] master: remove ?? from sequence and fix output (d6f5b2658)
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Tue, 19 Dec 2017 12:32:43 -0800 |
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[git/cctbx] master: Be sure to be able to get au if necessary (15556b5b6)
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Tue, 19 Dec 2017 12:18:07 -0800 |
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[git/cctbx] master: make sequence reading consistent (2fb0d43f7)
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Tue, 19 Dec 2017 08:38:27 -0800 |
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[git/cctbx] master: minor printout change (51a5f49b2)
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Tue, 19 Dec 2017 07:50:24 -0800 |
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[git/cctbx] master: Allow chain groupings like AAB in extract_unique_part_of_hierarchy and extract_unique_part_of_sequences (3aaea9d64)
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Tue, 19 Dec 2017 08:39:37 -0700 |
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[git/cctbx] master: mmtbx.prepare_pdb_deposition: More consistent method for separating file extension (99f47a88f)
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Tue, 19 Dec 2017 12:29:40 +0100 |
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[git/cctbx] master: Putative Levenberg-Marquardt minimzer for sdfac_refine. Not quite right yet. (821150940)
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Mon, 18 Dec 2017 16:28:25 -0800 |
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[git/cctbx] master: For lbfgs sdfac_refine, refine the sd terms directly instead of the square of these terms. (1df04973c)
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Mon, 18 Dec 2017 16:21:30 -0800 |
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[git/cctbx] master: Refactor or sdfac_refine in prep for LevMar implementation (a8ff30259)
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Mon, 18 Dec 2017 15:47:54 -0800 |
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[git/cctbx] master: Add a couple of missing include directives (a309caf0b)
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Mon, 18 Dec 2017 15:33:40 +0000 |
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Jenkins 5a cctbx Tests build 5610 Fixed
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Mon, 18 Dec 2017 15:10:18 +0000 |
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[git/cctbx] master: bug fix: assert_is_similar_symmetry not always passed along (cbf5a620d)
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Mon, 18 Dec 2017 15:06:23 +0000 |
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Jenkins 5a cctbx Tests build 5609 Unstable
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[git/cctbx] master: mmtbx.prepare_pdb_deposition: Change default output filename (dd5a96d3d)
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Jenkins 5a cctbx Tests build 5607 Fixed
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[git/cctbx] master: Fix typo (8722de0fe)
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Sun, 17 Dec 2017 11:04:52 -0800 |
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[git/cctbx] master: wait to check in use_sg_symmetry (426f804db)
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Sun, 17 Dec 2017 09:41:52 -0800 |
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[git/cctbx] master: Allow out-of-cell points if use_sg_symmetry (071124e7f)
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Sun, 17 Dec 2017 09:33:37 -0800 |
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Jenkins 5a cctbx Tests build 5604 Fixed
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Sun, 17 Dec 2017 05:21:05 +0000 |
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[git/cctbx] master: Fix typo (e4e9197f8)
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Sun, 17 Dec 2017 05:13:45 +0000 |
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[git/cctbx] master: clean clutter (ad835d57e)
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Jenkins 5a cctbx Tests build 5603 Still Failing
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Jenkins 5a cctbx Tests build 5602 Failure
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Sun, 17 Dec 2017 04:58:26 +0000 |
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[git/cctbx] master: mmtbx.prepare_pdb_deposition: initial rewrite with new program template (3ffda3b08)
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Sun, 17 Dec 2017 04:57:04 +0000 |
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[git/cctbx] master: Program template: Initial code; more work will follow (b5df2f9fd)
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Sun, 17 Dec 2017 04:56:11 +0000 |
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[git/cctbx] master: fix case where sequences are empty (4e51adc69)
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Sat, 16 Dec 2017 17:56:24 -0800 |
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[git/cctbx] master: clean clutter (56bb013d3)
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Sat, 16 Dec 2017 13:43:10 -0800 |
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[git/cctbx] master: Make get_ncs_from_map similar with and without point-group symmetry (562e0b8e3)
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Sat, 16 Dec 2017 13:42:52 -0800 |
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[git/cctbx] master: clean clutter and set default of false for requiring point group or helical symmetry (2869b52e4)
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Sat, 16 Dec 2017 10:42:46 -0800 |
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[git/cctbx] master: Fix typo in printout (32318462a)
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Sat, 16 Dec 2017 09:23:14 -0800 |
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[git/cctbx] master: use default distance cutoff in split_model; remove excess printout (a44afbf96)
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Sat, 16 Dec 2017 08:48:16 -0800 |
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[git/cctbx] master: Changing RuntimeError to Sorry just in case user would trigger that. Clearer error msg as well. (d775f1c77)
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Fri, 15 Dec 2017 17:01:32 -0800 |
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[git/cctbx] master: Informative message if conflicting restraints. Fix bug with weird input geometry for alt confs. With test. (01060c499)
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Fri, 15 Dec 2017 15:43:14 -0800 |
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[git/cctbx] master: Tidy up output and remove most of the finite differences computation (84cf272e7)
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Fri, 15 Dec 2017 15:19:39 -0800 |
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[git/cctbx] master: Bugfix for sdfac_refine lbfgs (8c863b40b)
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Fri, 15 Dec 2017 15:17:58 -0800 |
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[git/cctbx] master: Refactor to remove some code duplication (0357a9075)
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Fri, 15 Dec 2017 14:10:59 -0800 |
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[git/cctbx] master: clean clutters (deb253e39)
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Fri, 15 Dec 2017 13:42:45 -0800 |
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[git/cctbx] master: Fix import (cff7131a8)
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Fri, 15 Dec 2017 13:23:11 -0800 |
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[git/cctbx] master: Allow another setting of I symmetry (f96c7110c)
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Fri, 15 Dec 2017 13:17:27 -0800 |
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[git/cctbx] master: Clean clutter (2023fc778)
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Fri, 15 Dec 2017 13:15:01 -0800 |
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[git/cctbx] master: Add lbfgs minimzer for sdfac_refine (9635b9b5f)
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Fri, 15 Dec 2017 13:00:58 -0800 |
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[git/cctbx] master: Bugfixes in cpp code of sdfac_refine (31607de41)
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Fri, 15 Dec 2017 13:00:57 -0800 |
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[git/cctbx] master: Missing part of earlier commit for zeros in normal probabilty plot (5e51a98e6)
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Fri, 15 Dec 2017 13:00:57 -0800 |
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[git/cctbx] master: Add jiffy function for to compute statistics needed downstream and clean up some code duplication (0525af6d1)
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Fri, 15 Dec 2017 13:00:57 -0800 |
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[git/cctbx] master: Change initial values for sdfac_refine (c86a1d3a3)
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Fri, 15 Dec 2017 13:00:56 -0800 |
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[git/cctbx] master: Rename sdfac_refine.target_function to sdfac_refine.sigma_formulation (42d6fa7ad)
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Fri, 15 Dec 2017 13:00:56 -0800 |
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[git/cctbx] master: Clashscore: Change default for keep_hydrogens to False so that it is consistent with MolProbity (35b175d29)
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Fri, 15 Dec 2017 12:34:44 -0800 |
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[git/cctbx] master: Fast and dirty fix. The entire functionality needs massive rewrite/refactoring. (c5e2dfab5)
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Fri, 15 Dec 2017 12:30:00 -0800 |
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[git/cctbx] master: Update min_ncs_cc to set default at 0.75 (73db72f8c)
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Fri, 15 Dec 2017 11:48:24 -0800 |
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[git/cctbx] master: Polygon GUI: added value for Wilson B; change default statistic value to 0 from None to prevent crashing (a0a18bd12)
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Fri, 15 Dec 2017 11:05:20 -0800 |
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[git/cctbx] master: clean_clutter (304706128)
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Fri, 15 Dec 2017 05:05:55 -0800 |
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[git/cctbx] master: Add remove_residue_groups_with_atoms_on_special_positions_selective method; test follows (6cbdf2c1f)
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Fri, 15 Dec 2017 12:52:35 +0800 |
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[git/cctbx] master: Minor printout change; allow similarity in chain_comparison (44530ec00)
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Thu, 14 Dec 2017 20:14:25 -0700 |
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[git/cctbx] master: clean clutter (a0a55ad63)
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Fri, 15 Dec 2017 11:03:28 +0800 |
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[git/cctbx] master: shift_to_origin method added to pdb.hierarchy (with a test) (9d5f8fa85)
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Fri, 15 Dec 2017 10:46:58 +0800 |
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[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)
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Fri, 15 Dec 2017 10:46:58 +0800 |
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[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)
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Fri, 15 Dec 2017 10:46:58 +0800 |
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[git/cctbx] master: Better atom selection cache in model - makes it possible to use 'within' in simple selections (d6a798da8)
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Thu, 14 Dec 2017 16:58:12 -0800 |
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[git/cctbx] master: Fixes for trusted_range in the presence of IMAGE_PEDESTAL (785b564bd)
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Thu, 14 Dec 2017 15:35:37 +0000 |
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[git/cctbx] master: clean clutter (b990b3b6f)
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Thu, 14 Dec 2017 06:29:02 -0800 |
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[git/cctbx] master: Remove minor duplicate effort (4b73528da)
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Wed, 13 Dec 2017 20:27:02 -0800 |
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[git/cctbx] master: Fix typo...forgot to shift ncs position (35a63895d)
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Wed, 13 Dec 2017 20:07:00 -0800 |
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[git/cctbx] master: Allow check_ncs in segment_and_split (d872ebf6a)
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Wed, 13 Dec 2017 19:32:23 -0800 |
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[git/cctbx] master: Teaching pdbtools to understand within keyword in selections. (be72b52ae)
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Wed, 13 Dec 2017 17:24:14 -0800 |
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[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)
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Wed, 13 Dec 2017 11:38:55 -0800 |
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[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)
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Wed, 13 Dec 2017 11:38:55 -0800 |
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[git/cctbx] master: Did clean clutter (71e645767)
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Wed, 13 Dec 2017 09:03:16 +0000 |
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[git/cctbx] master: Bugfix for squared formulation of sdfac refine (b38a7070b)
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Tue, 12 Dec 2017 16:55:13 -0800 |
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[git/cctbx] master: MolProbity: Remove redundant paramater for neutron distances (b606cfdfb)
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[git/cctbx] master: Bugfixes for reflection table version of sdfac_refine (33a90605b)
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Tue, 12 Dec 2017 15:16:13 -0800 |
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[git/cctbx] master: Minor printout change (bf73f646c)
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Tue, 12 Dec 2017 14:01:09 -0700 |
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[git/cctbx] master: Allow trimming of helical density to +/- 1 or 2 turns (062ae60fd)
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Tue, 12 Dec 2017 13:59:35 -0700 |
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[git/cctbx] master: Check for presence of file (9519ff26c)
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Tue, 12 Dec 2017 13:59:35 -0700 |
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[git/cctbx] master: clang bug fix: Avoid dereferencing of NULL pointers (95759230c)
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Tue, 12 Dec 2017 12:54:23 -0800 |
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[git/cctbx] master: Added more output when testing FormatNexus (ebb84df73)
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Tue, 12 Dec 2017 16:54:52 +0000 |
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[git/cctbx] master: Do not attempt to build wxPython for Python3 (d63df0f67)
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Tue, 12 Dec 2017 12:50:33 +0000 |
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[git/cctbx] master: Forgot a space (4844b38eb)
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Mon, 11 Dec 2017 17:04:01 -0800 |
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[git/cctbx] master: MolProbity/clashscore bug fix: Pass hydrogen and nuclear options to clashscore calculation in MolProbity for consistent results (3fb2bc87b)
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Mon, 11 Dec 2017 16:49:06 -0800 |
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[git/cctbx] master: Revert unintended portion of last commit (49de575a4)
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Mon, 11 Dec 2017 16:25:24 -0800 |
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[git/cctbx] master: Alternate formulation of sdfac equation using squared parameters (f8ab792e6)
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Mon, 11 Dec 2017 16:09:25 -0800 |
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[git/cctbx] master: Better OpenMP block for nanoBragg. (d9592c2fd)
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Mon, 11 Dec 2017 15:42:30 -0800 |
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[git/cctbx] master: Also move minimizer for refl table version (643539514)
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Mon, 11 Dec 2017 15:33:34 -0800 |
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[git/cctbx] master: Bugfix for sdfac_refine. Get counters in sync. (1c096d1e1)
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Mon, 11 Dec 2017 15:33:34 -0800 |
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[git/cctbx] master: sdfac_refine: move simplex minimzer object out of function definition (e8ff2c03f)
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Mon, 11 Dec 2017 15:33:33 -0800 |
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[git/cctbx] master: missed variable renames (166f1521f)
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Mon, 11 Dec 2017 23:20:18 +0000 |
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[git/cctbx] master: clean clutter (c3ffe8afc)
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[git/cctbx] master: fix bug in bioinformatics where line with just > was not ignored (72692011c)
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Mon, 11 Dec 2017 16:10:18 -0700 |
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[git/cctbx] master: validation GUI table for ratamers now displays blanks instead of None for unassessible chi angles (c9d8aed46)
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Mon, 11 Dec 2017 14:58:58 -0500 |
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[git/cctbx] master: added stoplight cutoffs for Rama Favored for the GUI validation summary page (1f9d86d36)
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Mon, 11 Dec 2017 14:57:19 -0500 |
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[git/cctbx] master: Add dev.cxi.mpi_merge_refltable (da37e0d55)
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Mon, 11 Dec 2017 10:45:49 -0800 |
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[git/cctbx] master: Nicer error message with images missing from sweeps (2bb437800)
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Mon, 11 Dec 2017 16:37:17 +0000 |
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[git/cctbx] master: double duh (6d2835d12)
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Mon, 11 Dec 2017 01:18:43 -0800 |
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[git/cctbx] master: Temporarily avoid prebuilt numpy package, see #95 for details (eb6439d7a)
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Mon, 11 Dec 2017 09:12:50 +0000 |
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[git/cctbx] master: duh (22a22ced6)
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Mon, 11 Dec 2017 00:41:31 -0800 |
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[git/cctbx] master: need correct path (be2dfe1e7)
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[git/cctbx] master: Remove inline classes inside OpenMP pragma structure, Centos 6 cannot parse. (cfbcd38d1)
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Sun, 10 Dec 2017 21:22:40 -0800 |
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[git/cctbx] master: test for getting the same output from clashscore and molprobity (0a94df945)
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Sun, 10 Dec 2017 19:11:51 -0800 |
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[git/cctbx] master: clean_clutter (861274833)
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Sun, 10 Dec 2017 16:32:52 -0800 |
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[git/cctbx] master: Set chain type for individual fragments (18a01f654)
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Sun, 10 Dec 2017 09:46:45 -0800 |
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[git/cctbx] master: exclude CE1 from metal linking and CD2 (7b6e68cd8)
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Sat, 9 Dec 2017 20:27:50 -0800 |
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[git/cctbx] master: exclude CE1 from metal linking (a0bc25c08)
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[git/cctbx] master: test fix (f487781ba)
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Sat, 9 Dec 2017 18:45:09 -0800 |
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[git/cctbx] master: remove useless output (11b20bdb9)
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Sat, 9 Dec 2017 18:03:06 -0800 |
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[git/cctbx] master: Allow automatic splitting of chains in split_model (e5dfe9876)
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Sat, 9 Dec 2017 13:40:31 -0800 |
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[git/cctbx] master: fix print formatting (c2347d094)
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Sat, 9 Dec 2017 18:25:52 +0000 |
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[git/cctbx] master: OK proper fix for xia2/xia2#200 make sure that the mosflm beam always points *at* the detector (c9c2d56ed)
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Sat, 9 Dec 2017 15:56:54 +0000 |
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[git/cctbx] master: Validation: add more Polygon statistics (510a05780)
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Fri, 8 Dec 2017 17:00:31 -0800 |
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[git/cctbx] master: OpenMP parallelizes around the outer loop. Results invariant to OMP_NUM_THREADS. Optimal is 8 threads only. (bc9406807)
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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)
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Fri, 8 Dec 2017 16:46:21 -0800 |
544 lines |
[git/cctbx] master: Partial progress. Mosaicity tic now const correct. (0efde3e78)
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Fri, 8 Dec 2017 16:46:20 -0800 |
711 lines |
[git/cctbx] master: Get rid of compile warnings. (28b7e5987)
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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)
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Fri, 8 Dec 2017 16:46:20 -0800 |
1135 lines |
[git/cctbx] master: Rename cpp file (095c6e2d7)
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Fri, 8 Dec 2017 16:08:15 -0800 |
650 lines |
[git/cctbx] master: Implementation of errors_from_sample_residuals using reflection tables (4643e1d12)
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Fri, 8 Dec 2017 16:08:15 -0800 |
238 lines |
[git/cctbx] master: Implementation of sdfac_refine using reflection tables. (4d13bd6c8)
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Fri, 8 Dec 2017 16:08:14 -0800 |
918 lines |
[git/cctbx] master: Adapt tests. (22605a8a8)
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Fri, 8 Dec 2017 14:02:57 -0800 |
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[git/cctbx] master: Adapt reset of self.x when there is xyz selection. (2c95feffd)
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Fri, 8 Dec 2017 10:29:46 -0800 |
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[git/cctbx] master: Make selection of riding manager available in model. (73d81608a)
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Fri, 8 Dec 2017 10:27:22 -0800 |
139 lines |
[git/cctbx] master: Clean clutter (1bfa97dfe)
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Thu, 7 Dec 2017 16:15:29 -0700 |
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[git/cctbx] master: chain_comparison allow selection of close/far parts (1f6d50ca5)
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Thu, 7 Dec 2017 14:07:11 -0800 |
652 lines |
[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 |
115 lines |
[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 |
496 lines |