Commits · f9192f20ed0185d46f8f9505a0184f72ca08e505 · schwede / openstructure · GitLab

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Sep 25, 2022
- qsscore: distinguish between QS_global and QS_best · f9192f20
  Studer Gabriel authored 2 years ago
  f9192f20
Sep 22, 2022
- chain mapping: handle case of no surviving residues in ProcessStructure · 0a8b0bd1
  Studer Gabriel authored 2 years ago
  
  0a8b0bd1
Sep 20, 2022
- chain mapping: expose internal alignment functionality of ChainMapper · e3e19601
  Studer Gabriel authored 2 years ago
  
  e3e19601
- chain mapping: Deal with corner case in GetRepr · 9be61496
  Studer Gabriel authored 2 years ago
  
  9be61496
- chain mapping: make structure processing functionality available · 3537f078
  Studer Gabriel authored 2 years ago
  
  3537f078
- chain mapping: Extend processing of input structures · 93520c38
  Studer Gabriel authored 2 years ago
  93520c38
- chain mapping: add flat mapping to MappingResult.JSONSummary · 8199b430
  Studer Gabriel authored 2 years ago
  
  8199b430
- Avoid TypeError when lDDT is None · f81a332d
  Xavier Robin authored 2 years ago
  
  f81a332d
- chain mapping: Get one-to-one flat mapping out of mapping result · 58dfbf88
  Studer Gabriel authored 2 years ago
  
  58dfbf88
Sep 14, 2022
- chain mapping: Add substructure attribute to ReprResult object · 0a515466
  Studer Gabriel authored 2 years ago
  
  0a515466
Sep 13, 2022
- bugfix · 09eb62a3
  Studer Gabriel authored 2 years ago
  09eb62a3
- chain mapping: guarantee that proper EntityViews are attached · 31c3a281
  Studer Gabriel authored 2 years ago
  
  31c3a281
Sep 12, 2022
- Accept 0.0 QS-score mappings in QS-score based optimization · 9481742c
  Studer Gabriel authored 2 years ago
  9481742c
Sep 08, 2022
- bugfix · 4f47eab1
  Studer Gabriel authored 2 years ago
  
  4f47eab1
Sep 07, 2022
- bugfix · 9cbd3749
  Studer Gabriel authored 2 years ago
  
  9cbd3749
Sep 06, 2022
- implement QS score based greedy chain mapping strategies · e2c3585a
  Studer Gabriel authored 2 years ago
  
  e2c3585a
Sep 01, 2022
- add qs score based chain mapping · 8939b39d
  Studer Gabriel authored 2 years ago
  
  8939b39d
- add JSONSummary function to chain_mapping.MappingResult class · f3501bf0
  Studer Gabriel authored 2 years ago
  
  f3501bf0
- QS score implementation which is tightly integrated with chain mapping · fa6eb3a0
  Studer Gabriel authored 2 years ago
  
  fa6eb3a0
Aug 29, 2022
- lDDT: cleanup chain mapping · 13a4e9a5
  Studer Gabriel authored 2 years ago
  
  13a4e9a5
- lDDT: introduce MappingResult object · bccddafe
  Studer Gabriel authored 2 years ago
  bccddafe
Aug 26, 2022
- add GetRepr function to ChainMapper · efeb1b55
  Studer Gabriel authored 2 years ago
  efeb1b55
Aug 25, 2022
- lDDT: add iterative_rmsd strategy in GetGreedyRigidMapping · 2b6d83a7
  Studer Gabriel authored 2 years ago
  
  2b6d83a7
Aug 23, 2022
- lDDT: remove unnecessary lines · 553efb9f
  Studer Gabriel authored 2 years ago
  
  553efb9f
Aug 19, 2022
- lDDT: Merge the two naive chain mapping functions into one: GetNaivelDDTMapping · d94b7a83
  Studer Gabriel authored 2 years ago
  d94b7a83
Aug 18, 2022
- lDDT: extend rigid superposition based mapping capabilities · 6f166a07
  Studer Gabriel authored 2 years ago
  
  6f166a07
Aug 16, 2022
- lDDT: use BLOSUM62 as default for sequence alignments in chain mapping · 20e3989b
  Studer Gabriel authored 2 years ago
  
  20e3989b
Aug 15, 2022
- lDDT: more strict gap penalties in chain mapping alignments (BLAST defaults) · f8a51f15
  Studer Gabriel authored 2 years ago
  
  f8a51f15
- lDDT: slight change of chain mapping default params · 548dad18
  Studer Gabriel authored 2 years ago
  
  548dad18
Aug 08, 2022
- lDDT: limit max number of possible chain mappings · 82ce3c83
  Studer Gabriel authored 2 years ago
  82ce3c83
- lDDT: refactor block strategy in greedy chain mapping · 8f53cd73
  Studer Gabriel authored 2 years ago
  
  8f53cd73
Aug 04, 2022
- lDDT: introduce minimal chain lengths in chain mapping · 81738ccb
  Studer Gabriel authored 2 years ago
  
  81738ccb
- lDDT: bugfix · d4ee8867
  Studer Gabriel authored 2 years ago
  
  d4ee8867
- lDDT: alter chem mapping strategy · 1ce3a757
  Studer Gabriel authored 2 years ago
  1ce3a757
Aug 03, 2022
- lDDT: enable iterative SVD superposition · 8784e3ac
  Studer Gabriel authored 2 years ago
  
  8784e3ac
Jul 29, 2022
- lDDT: unit test update · a972b488
  Studer Gabriel authored 2 years ago
  
  a972b488
Jul 28, 2022
- lDDT: simplify handling of views attached to sequences · 44c6ff11
  Studer Gabriel authored 2 years ago
  
  44c6ff11
Jul 27, 2022
- lDDT: docu updates · 10cc7af0
  Studer Gabriel authored 2 years ago
  
  10cc7af0
- lDDT: give more fine grained control over alignment similarity measures · a103f388
  Studer Gabriel authored 2 years ago
  
  a103f388
Jul 26, 2022
- lDDT: expose alignment parameters to ChainMapper constructor · 28b6d2d3
  Studer Gabriel authored 2 years ago
  
  28b6d2d3