James Procter [Tue, 24 Jan 2023 07:48:07 +0000 (07:48 +0000)]
JAL-629 don’t trash user’s system property file when adjusting settings to process CL args
James Procter [Tue, 24 Jan 2023 07:46:53 +0000 (07:46 +0000)]
JAL-629 don’t complain for Unary args
James Procter [Tue, 24 Jan 2023 07:46:34 +0000 (07:46 +0000)]
JAL-629 labelled breaks are frowned upon by everyone
James Procter [Tue, 24 Jan 2023 06:27:46 +0000 (06:27 +0000)]
Merge branch 'features/r2_11_2_alphafold/JAL-2349_JAL-3855' into features/r2_11_2_alphafold/JAL-629
James Procter [Tue, 24 Jan 2023 06:26:15 +0000 (06:26 +0000)]
Merge branch 'develop' (JAL-4102 2.11.2.6 patch release) into features/r2_11_2_alphafold/JAL-2349_JAL-3855
Ben Soares [Mon, 23 Jan 2023 23:57:06 +0000 (23:57 +0000)]
JAL-629 Attempts to add PAE to structure. --headless working. Make HTML output single threaded in headless mode. Delete an editor temp file.
James Procter [Mon, 23 Jan 2023 20:17:42 +0000 (20:17 +0000)]
JAL-4104 JAL-4102 update help docs with script to add jalview command line tool to osx path
Jim Procter [Mon, 23 Jan 2023 09:32:43 +0000 (09:32 +0000)]
JAL-4102 whatsNew for 2.11.2.6
Jim Procter [Fri, 20 Jan 2023 23:40:08 +0000 (23:40 +0000)]
Merge branch 'patch/JAL-4114_updated_3dbeacons_api' into develop
Jim Procter [Fri, 20 Jan 2023 23:39:28 +0000 (23:39 +0000)]
JAL-4114 model_page_url not required in v2.0 response
Jim Procter [Fri, 20 Jan 2023 23:03:12 +0000 (23:03 +0000)]
JAL-4102 update date and release notes for 2.11.2.6
Jim Procter [Fri, 20 Jan 2023 22:53:26 +0000 (22:53 +0000)]
Merge branch 'patch/JAL-4114_updated_3dbeacons_api' into develop
Jim Procter [Fri, 20 Jan 2023 22:52:55 +0000 (22:52 +0000)]
Merge branch 'patch/Release_2_11_2_6_Branch' into develop
Jim Procter [Fri, 20 Jan 2023 20:48:43 +0000 (20:48 +0000)]
JAL-2353 primary ref candidates that should be promoted should preserve original version string
Jim Procter [Fri, 20 Jan 2023 20:44:47 +0000 (20:44 +0000)]
JAL-4114 missing mock server response
Jim Procter [Fri, 20 Jan 2023 17:53:48 +0000 (17:53 +0000)]
JAL-4114 only rank model qualities that are computed with the same method, and uprank models with pLDDT over other types of models in the same model type category
Jim Procter [Fri, 20 Jan 2023 17:52:52 +0000 (17:52 +0000)]
JAL-4114 alphafold now marked as AB-INITIO so adjust ranking in categories
Jim Procter [Fri, 20 Jan 2023 17:50:53 +0000 (17:50 +0000)]
JAL-4114 additional warnings when PDBe doesn’t return as many responses as queries made to it when adding in additional metadata
Jim Procter [Fri, 20 Jan 2023 17:49:38 +0000 (17:49 +0000)]
JAL-4114 patch REST client for changed JSON schema in 3D beacons v2 API
Jim Procter [Fri, 20 Jan 2023 17:49:16 +0000 (17:49 +0000)]
JAL-4114 formatting
Jim Procter [Fri, 20 Jan 2023 17:48:04 +0000 (17:48 +0000)]
JAL-4114 updated mock tests and responses for v2.0 api
Ben Soares [Wed, 18 Jan 2023 15:52:10 +0000 (15:52 +0000)]
JAL-629 make sequence id key 'seqid'
Ben Soares [Wed, 11 Jan 2023 11:55:53 +0000 (11:55 +0000)]
JAL-629 added Alphafold cif, pdb and PAE json files to examples/AlphaFold
Ben Soares [Wed, 11 Jan 2023 11:55:14 +0000 (11:55 +0000)]
JAL-629 refactoring TFType. Remove i18n identification of annotation.
Ben Soares [Mon, 19 Dec 2022 18:18:40 +0000 (18:18 +0000)]
JAL-629 Add image output and quit
Ben Soares [Thu, 15 Dec 2022 14:25:40 +0000 (14:25 +0000)]
JAL-629 move SubId to more logical place. Attempt removal of annotations in a better way (commented out).
Ben Soares [Wed, 14 Dec 2022 10:45:27 +0000 (10:45 +0000)]
JAL-629 Open Structure Viewer from cmdline
Ben Soares [Fri, 9 Dec 2022 13:05:10 +0000 (13:05 +0000)]
JAL-629 null check, fixed tests!
Ben Soares [Thu, 8 Dec 2022 17:29:38 +0000 (17:29 +0000)]
JAL-629 fix opening files
Ben Soares [Thu, 8 Dec 2022 17:08:49 +0000 (17:08 +0000)]
JAL-629 stray code deleted
Ben Soares [Thu, 8 Dec 2022 14:19:23 +0000 (14:19 +0000)]
JAL-629 Allow attachment of pAE file to a particular sequence
Ben Soares [Mon, 5 Dec 2022 09:32:24 +0000 (09:32 +0000)]
JAL-629 implementation of --tempfac options
Jim Procter [Wed, 30 Nov 2022 11:51:02 +0000 (11:51 +0000)]
JAL-4102 bump version number
Jim Procter [Wed, 30 Nov 2022 11:34:45 +0000 (11:34 +0000)]
JAL-4102 2.11.2.6 hotfix release notes - JAL-4101 JAL-2353
Ben Soares [Tue, 29 Nov 2022 13:20:54 +0000 (13:20 +0000)]
JAL-4101 Updated Rfam* tests
Ben Soares [Tue, 29 Nov 2022 13:15:32 +0000 (13:15 +0000)]
JAL-4101 Updated DEFAULT_RFAM_BASEURL
Jim Procter [Sun, 30 Oct 2022 23:19:57 +0000 (23:19 +0000)]
JAL-2353 patch for Ensembl refs from uniprot - needs test and checking !
Ben Soares [Tue, 29 Nov 2022 13:20:54 +0000 (13:20 +0000)]
JAL-4101 Updated Rfam* tests
Ben Soares [Tue, 29 Nov 2022 13:15:32 +0000 (13:15 +0000)]
JAL-4101 Updated DEFAULT_RFAM_BASEURL
Ben Soares [Wed, 23 Nov 2022 17:19:43 +0000 (17:19 +0000)]
JAL-629 Doing things with the command line arguments
Jim Procter [Thu, 3 Nov 2022 16:27:10 +0000 (16:27 +0000)]
JAL-3855 JAL-4095 simple picking of ranges adjacent to a clicked region of the pAE that score less than the max pAE observed under the mouse
Jim Procter [Sun, 30 Oct 2022 23:22:32 +0000 (23:22 +0000)]
JAL-2349 JAL-3855 bizarre resizing exception when resizing protein alignment for a linked CDS protein alignment
Jim Procter [Sun, 30 Oct 2022 23:21:38 +0000 (23:21 +0000)]
JAL-4091 lines to associate rows sharing same sequence ref - needs some work still ! (And would be great to have more interactivity!)
Jim Procter [Sun, 30 Oct 2022 23:19:57 +0000 (23:19 +0000)]
JAL-2353 patch for Ensembl refs from uniprot - needs test and checking !
Jim Procter [Sat, 29 Oct 2022 14:11:58 +0000 (15:11 +0100)]
JAL-4094 shift+click drag up/down to resize all annotation rows with matching calcId and label.
Jim Procter [Sat, 29 Oct 2022 12:08:47 +0000 (13:08 +0100)]
JAL-4091 - noodling about including the names for sequences associated with annotation rows in the annotation row label area
Jim Procter [Sat, 29 Oct 2022 11:20:09 +0000 (12:20 +0100)]
JAL-4090 bump version and set up release notes for 2.11.3
Jim Procter [Sat, 29 Oct 2022 11:16:14 +0000 (12:16 +0100)]
Merge branch 'features/JAL-4061_and_JAL-4062_findselectfeatures' into features/r2_11_2_alphafold/JAL-2349_JAL-3855
Jim Procter [Fri, 28 Oct 2022 15:30:06 +0000 (16:30 +0100)]
Merge branch 'bug/JAL-4083_exceptions_for_multiple_residue_highlights_in_jmol' into features/r2_11_2_alphafold/JAL-2349_JAL-3855
Jim Procter [Fri, 28 Oct 2022 15:27:00 +0000 (16:27 +0100)]
JAL-2349 allow contact matrix to provide labels for its annotation row
Jim Procter [Fri, 28 Oct 2022 14:49:34 +0000 (15:49 +0100)]
JAL-4086 commented out attempt to create measurement lines between aligned residues in different chains
Jim Procter [Fri, 28 Oct 2022 14:48:32 +0000 (15:48 +0100)]
JAL-4089 use column selection to superpose if 4 or more selected
Jim Procter [Fri, 28 Oct 2022 14:45:22 +0000 (15:45 +0100)]
JAL-2961 centerViewOn command for structure viewers - called after superposition
Jim Procter [Fri, 28 Oct 2022 12:21:41 +0000 (13:21 +0100)]
Merge branch 'features/r2_11_2_alphafold/JAL-2349_JAL-3855' into bug/JAL-4083_exceptions_for_multiple_residue_highlights_in_jmol
Ben Soares [Thu, 27 Oct 2022 13:43:59 +0000 (14:43 +0100)]
JAL-4083 don't need globalUseScriptWait after all, just a couple of calls to jmolHistory need the flag too
Ben Soares [Thu, 27 Oct 2022 12:23:16 +0000 (13:23 +0100)]
JAL-4083 only set globalUseScriptWait if needed
Ben Soares [Thu, 27 Oct 2022 10:51:01 +0000 (11:51 +0100)]
JAL-4083 Use jmolViewer.scriptWait instead of jmolViewer.evalStringQuiet whilst highlightingt more than one residue
Jim Procter [Wed, 26 Oct 2022 11:37:47 +0000 (12:37 +0100)]
JAL-4086 quick and dirty mouseovers on ruler highlighting all positions highlighted on a particular column..
Ben Soares [Wed, 26 Oct 2022 11:07:43 +0000 (12:07 +0100)]
Merge branch 'features/r2_11_2_alphafold/JAL-2349_JAL-3855' into bug/JAL-4083_exceptions_for_multiple_residue_highlights_in_jmol
Ben Soares [Wed, 26 Oct 2022 08:13:24 +0000 (09:13 +0100)]
JAL-3416 (and others) increasing number of STDERR lines used for jalview.bin.CommandLineOperations tests for increased robustness
Ben Soares [Tue, 25 Oct 2022 12:07:19 +0000 (13:07 +0100)]
JAL-3416 Making FlatLaF default for macs due to a problem with VAqua not starting on macs
Jim Procter [Sat, 22 Oct 2022 11:40:35 +0000 (12:40 +0100)]
JAL-2349 JAL-3855 highlight residues associated with elements under mouse - Jmol doesn’t like highlighting many residues at once this way.
Jim Procter [Fri, 21 Oct 2022 15:21:51 +0000 (16:21 +0100)]
JAL-2349 JAL-3855 fix failing tests
Jim Procter [Fri, 21 Oct 2022 15:08:23 +0000 (16:08 +0100)]
JAL-2349 JAL-3855 experiment masking hidden columns in contact matrix
Jim Procter [Fri, 21 Oct 2022 15:04:44 +0000 (16:04 +0100)]
JAL-4033 - heuristic threshold for pAE matrix - mark any column where pAE values for column+8.. lie outside threshold - definitely better to do a watershed or other type of clustering
Jim Procter [Thu, 20 Oct 2022 20:00:49 +0000 (21:00 +0100)]
JAL-2349 formatting/pick correct exception
Jim Procter [Thu, 20 Oct 2022 16:14:24 +0000 (17:14 +0100)]
JAL-2349 JAL-3855 off by one and daft return
Jim Procter [Thu, 20 Oct 2022 15:45:16 +0000 (16:45 +0100)]
JAL-2349 avoid div-by-zero when annotation height is zero (though poss better to simply avoid rendering contact at all)
Jim Procter [Thu, 20 Oct 2022 15:29:03 +0000 (16:29 +0100)]
JAL-2349 JAL-3855 adapt renderer for AlignmentI.getContactList(..) mapping to sequence associated reference frame
Jim Procter [Thu, 20 Oct 2022 15:28:00 +0000 (16:28 +0100)]
JAL-2349 JAL-3855 ContactListI.getPosition() to recover original position passed to ContactMatrixI.getContactListFor(..)
Jim Procter [Thu, 20 Oct 2022 14:45:51 +0000 (15:45 +0100)]
JAL-2349 JAL-3855 experimenting with filtering columns based on mean of contact map range
Jim Procter [Thu, 20 Oct 2022 14:14:31 +0000 (15:14 +0100)]
JAL-3855 JAL-2349 AlignmentI.getContactList takes care of mapping columns to sequence positions for sequence associated contact matrices. Need to map selected positions back for drag selects
Jim Procter [Thu, 20 Oct 2022 13:00:49 +0000 (14:00 +0100)]
JAL-4033 fix drag selections and distinguish row/columnwise highlights from intersections on matrix
Jim Procter [Thu, 20 Oct 2022 10:23:36 +0000 (11:23 +0100)]
JAL-2349 (still buggy) interactive selection - time to write tests!
Jim Procter [Thu, 20 Oct 2022 09:50:49 +0000 (10:50 +0100)]
JAL-2349 tooltip reports value from contact range
Jim Procter [Thu, 20 Oct 2022 09:50:42 +0000 (10:50 +0100)]
JAL-2349 adjusted range calculation to be inclusive rather than inclusive, exclusive of bounds
Jim Procter [Thu, 20 Oct 2022 09:49:21 +0000 (10:49 +0100)]
JAL-2349 debugged click/drag and added yellow rubber banding (like Alphafold)
Jim Procter [Thu, 20 Oct 2022 09:08:39 +0000 (10:08 +0100)]
JAL-2349 JAL-3855 - interactive point-wise row/column selection, and first attempt at alt-drag for region selections (not yet working!)
Jim Procter [Thu, 20 Oct 2022 09:07:57 +0000 (10:07 +0100)]
JAL-3855 RGB colours from the alphafold paE scale.
Jim Procter [Wed, 19 Oct 2022 12:10:58 +0000 (13:10 +0100)]
JAL-2349 JAL-4033 refactored contact matrix geom calc to allow reporting of mapped positions in tooltip
Jim Procter [Mon, 17 Oct 2022 16:56:51 +0000 (17:56 +0100)]
JAL-2349 JAL-3855 column selection highlighting
Jim Procter [Mon, 17 Oct 2022 11:49:02 +0000 (12:49 +0100)]
JAL-3855 bump AF version to 3 - keep contact renderer happy by filling out maxcols and maxrows attribute in PAE
Jim Procter [Mon, 17 Oct 2022 11:19:34 +0000 (12:19 +0100)]
JAL-1551 formatting
Jim Procter [Mon, 17 Oct 2022 11:19:24 +0000 (12:19 +0100)]
JAL-2349 JAL-3855 tests that probably should be part of Functional..
Jim Procter [Mon, 17 Oct 2022 11:18:44 +0000 (12:18 +0100)]
JAL-3855 report download errors as errors!
Jim Procter [Mon, 17 Oct 2022 11:18:22 +0000 (12:18 +0100)]
JAL-2349 JAL-3855 Integrate pAE retrieval in StructureFile so it can be transferred as reference annotation
Jim Procter [Sat, 15 Oct 2022 12:00:00 +0000 (13:00 +0100)]
JAL-2349 reusable contact map holder for SequenceI and AnnotatedCollectionI
Jim Procter [Sat, 15 Oct 2022 11:40:17 +0000 (12:40 +0100)]
JAL-3855 2349 TODO
Jim Procter [Sat, 15 Oct 2022 10:11:34 +0000 (11:11 +0100)]
JAL-3855 import pAE when StructureSelectionManager parses an alphaFold structure. Works but AlignmentI holding the contact matrices prevents transfer.
Jim Procter [Sat, 15 Oct 2022 10:09:52 +0000 (11:09 +0100)]
JAL-3855 pAE v2 import
Jim Procter [Fri, 14 Oct 2022 16:05:06 +0000 (17:05 +0100)]
JAL-3855 refactor the pAE retrieval code so it can be called via structureselectionmanager
Jim Procter [Fri, 14 Oct 2022 15:40:16 +0000 (16:40 +0100)]
Merge branch 'features/JAL-3895_alphafoldcolours' into features/r2_11_2_alphafold/JAL-2349_JAL-3855
Jim Procter [Fri, 14 Oct 2022 15:38:56 +0000 (16:38 +0100)]
Merge branch 'develop' into features/JAL-3895_alphafoldcolours
Jim Procter [Tue, 11 Oct 2022 15:54:16 +0000 (16:54 +0100)]
Merge branch 'develop' into releases/Release_2_11_2_Branch
Jim Procter [Tue, 11 Oct 2022 15:53:25 +0000 (16:53 +0100)]
JAL-4065 final fix for 2.11.2.5 - 5pm BST release
Jim Procter [Tue, 11 Oct 2022 15:16:37 +0000 (16:16 +0100)]
Merge branch 'develop' into releases/Release_2_11_2_Branch
Jim Procter [Tue, 11 Oct 2022 15:16:01 +0000 (16:16 +0100)]
JAL-4065 revised to avoid a visit from the apostrophe police
Jim Procter [Tue, 11 Oct 2022 14:44:01 +0000 (15:44 +0100)]
Merge branch 'develop' into releases/Release_2_11_2_Branch
Jim Procter [Tue, 11 Oct 2022 14:43:36 +0000 (15:43 +0100)]
JAL-4073 update tests
Jim Procter [Tue, 11 Oct 2022 14:28:03 +0000 (15:28 +0100)]
Merge branch 'develop' into releases/Release_2_11_2_Branch