Commits · 8e4d2c72a3f7a84c4d6903a23e91715aa1adabed · schwede / openstructure

Jul 11, 2022
- lDDT: bugfix · 8e4d2c72
  Studer Gabriel authored 3 years ago
  
  8e4d2c72
Jul 06, 2022
- lDDT: bugfix · ddebeb9a
  Studer Gabriel authored 3 years ago
  
  ddebeb9a
- lDDT: bugfix · b99216b6
  Studer Gabriel authored 3 years ago
  
  b99216b6
Jul 05, 2022
- lDDT: typo · cb5d9bb0
  Studer Gabriel authored 3 years ago
  
  cb5d9bb0
May 24, 2022
- lDDT: bugfix · bffb2835
  Studer Gabriel authored 3 years ago
  
  bffb2835
May 17, 2022
- lDDT: bugfix · e7a610b0
  Studer Gabriel authored 3 years ago
  
  e7a610b0
May 09, 2022
- lDDT: generalize calpha flag to also deal with nucleotides (C3' as ref atom) · 7ec8180c
  Studer Gabriel authored 3 years ago
  
  7ec8180c
- lDDT: consistent use of ndarrays, also in case of empty default values · a8d7b5d2
  Studer Gabriel authored 3 years ago
  
  a8d7b5d2
May 05, 2022
- lDDT: flag to compute lDDT only on inter-chain contacts · 103c2c92
  Studer Gabriel authored 3 years ago
  
  103c2c92
May 04, 2022
- lDDT: avoid zero divisions - return None for scores with 0 expected contacts · e56b1d21
  Studer Gabriel authored 3 years ago
  
  e56b1d21
Apr 20, 2022
- lDDT: Make compound_lib optional in lDDTScorer · df18ad63
  Studer Gabriel authored 3 years ago
  df18ad63
Apr 19, 2022
- lDDT: docu updates · 6279df8f
  Studer Gabriel authored 3 years ago
  
  6279df8f
- lDDT: make matching residue names in model/target optional (on by default) · 1cde4be1
  Studer Gabriel authored 3 years ago
  
  1cde4be1
- lDDT: code cleanups · 656b852b
  Studer Gabriel authored 3 years ago
  
  656b852b
- lDDT: add flag to comput CA-lDDT · 79eb5516
  Studer Gabriel authored 3 years ago
  
  79eb5516
- lDDT: code cleanup · 93edac50
  Studer Gabriel authored 3 years ago
  
  93edac50
- lDDT: return number of expected and conserved global contacts if requested · 8ca6c93b
  Studer Gabriel authored 3 years ago
  
  8ca6c93b
Apr 14, 2022
- bugfix: cast np.int64 to int · 612ea8fb
  Studer Gabriel authored 3 years ago
  
  612ea8fb
Apr 13, 2022
- change local_contact_prop naming scheme · 4f691c8e
  Studer Gabriel authored 3 years ago
  
  4f691c8e
- variable renaming · 833a4ad8
  Studer Gabriel authored 3 years ago
  
  833a4ad8
- add exp and conserved contacts as int prop to scored model if requested · be849e66
  Studer Gabriel authored 3 years ago
  
  be849e66
- add function to extract number of contacts expected for a certain chain · f3744766
  Studer Gabriel authored 3 years ago
  
  f3744766
Apr 12, 2022
- lddt speedups through caching · db020c14
  Studer Gabriel authored 3 years ago
  
  db020c14
Apr 08, 2022
- add fast and flexible Python lDDT implementation · 476a95c9
  Studer Gabriel authored 3 years ago
  
  476a95c9