Commits · cf0bc6a12a3a941d76af3e995c7755ba21660bf0 · schwede / openstructure · GitLab

Snippets Groups Projects

Dec 21, 2023
- mmcif writer: resolve linking errors for certain usages of ChemClass · cf0bc6a1
  Studer Gabriel authored 1 year ago
  cf0bc6a1
Dec 20, 2023
- mmcif writer: bugfix · d632863b
  Studer Gabriel authored 1 year ago
  
  d632863b
- mmcif writer: treat gaps of unknown residues in SEQRES · 3fb435a9
  Studer Gabriel authored 1 year ago
  
  3fb435a9
- mmcif writer: refactor · cb38a10e
  Studer Gabriel authored 1 year ago
  cb38a10e
- mmcif writing: refactor · 295eb04e
  Studer Gabriel authored 1 year ago
  295eb04e
Dec 18, 2023
- mmcif writer: Make entity info a property of mmcif writer · 80aedec8
  Studer Gabriel authored 1 year ago
  80aedec8
- mmcif writer: rename SetEntity to SetStructure · 252bfa65
  Studer Gabriel authored 1 year ago
  252bfa65
- mmcif writer: resnum based entity matching, even if atomseq differs · 9eb4cf9c
  Studer Gabriel authored 1 year ago
  9eb4cf9c
Dec 09, 2023
- mmcif writer: read chain type from ost.mol.ChainHandle.GetType property · e8308e35
  Studer Gabriel authored 1 year ago
  e8308e35
Dec 08, 2023
- mmcif writing: make mmCIFify optional · b763d425
  Studer Gabriel authored 1 year ago
  b763d425
Dec 07, 2023
- mmcif writing: improve automated detection of _entity.type/_entity_poly.type · cc7da76f
  Studer Gabriel authored 1 year ago
  cc7da76f
Dec 03, 2023
- mmcif writer: add attributes to _entity_poly category · 9110f77a
  Studer Gabriel authored 1 year ago
  9110f77a
Nov 30, 2023
- mmcif writer: produces first valid mmcif files! · 74f30614
  Studer Gabriel authored 1 year ago
  
  74f30614
Nov 27, 2023
- mmcif writer: updates · 97710d19
  Studer Gabriel authored 1 year ago
  97710d19
Nov 22, 2023
- mmcif writer: write _entity, _struct_asym, _entity_poly_seq categories · 352335f1
  Studer Gabriel authored 1 year ago
  
  352335f1
Nov 21, 2023
- Experimental code for mmcif writing · dfb58a96
  Studer Gabriel authored 1 year ago
  dfb58a96
Nov 16, 2023
- update CHANGELOG · 4a3cbafe
  Studer Gabriel authored 1 year ago
  
  View commits for tag 2.6.0-rc2 2.6.0-rc2
  
  4a3cbafe
Nov 15, 2023
- USalign: pass chain mapping in internal USalign code copy · 39b6698e
  Studer Gabriel authored 1 year ago
  
  39b6698e
Nov 14, 2023
- update USalign source code · 4916b221
  Studer Gabriel authored 1 year ago
  
  4916b221
- Scoring: round JSON results of compare-structures action · c954f0cb
  Studer Gabriel authored 1 year ago
  
  c954f0cb
Nov 09, 2023
- Scoring: Use consistent definition of n_max_naive parameter · d998981b
  Studer Gabriel authored 1 year ago
  d998981b
Nov 08, 2023
- Scoring: several tweaks to simplify processing by the SWISS-MODEL web interface · a09bc32b
  Studer Gabriel authored 1 year ago
  a09bc32b
Oct 31, 2023
- Scoring: add number of native and model contacts as attributes to Scorer · f5efafc7
  Studer Gabriel authored 1 year ago
  
  f5efafc7
- Scoring: allow injection of Scorer mapping to USalign for tm-score computation · 3b843712
  Studer Gabriel authored 1 year ago
  
  3b843712
Oct 24, 2023
- Contact scores - Enable per-interface IPS scoring · d6debb7c
  Studer Gabriel authored 1 year ago
  d6debb7c
Oct 23, 2023
- Contact scores - Enable per-interface ICS scoring · 7d67c475
  Studer Gabriel authored 1 year ago
  7d67c475
Sep 22, 2023
- USalign: pass custom chain mapping as -chainmap argument · 5bfa7dc7
  Studer Gabriel authored 1 year ago
  
  5bfa7dc7
Sep 21, 2023
- test: refactor asserts · 6d099003
  Xavier Robin authored 1 year ago
  
  6d099003
Sep 20, 2023
- OMF: Update storage procedure for coordinates · e4883f46
  Studer Gabriel authored 1 year ago
  e4883f46
- OMF: test max_error · ca8848ae
  Studer Gabriel authored 1 year ago
  
  ca8848ae
- fix: default should be 10 · 3124de37
  Xavier Robin authored 1 year ago
  
  3124de37
- log: leave some trace of lack of valid contacts · 6fa1cd9e
  Xavier Robin authored 1 year ago
  
  6fa1cd9e
- fix: SCHWED-6059 consider coverage in assignment · 0946c7e4
  Xavier Robin authored 1 year ago
  
  0946c7e4
Sep 19, 2023
- docu updates · fc86215b
  Studer Gabriel authored 1 year ago
  
  fc86215b
- fix: SCHWED-6059 keep track of substructure coverage · 684b372a
  Xavier Robin authored 1 year ago
  
  684b372a
- test: fix invalid entity view. · c5dd7308
  Xavier Robin authored 1 year ago
  c5dd7308
Sep 11, 2023
- fix: SCHWED-6050 check status correctly to avoid assertion error · 4ac35997
  Xavier Robin authored 1 year ago
  
  4ac35997
Sep 08, 2023
- OMF: cleanup · b1a4909e
  Studer Gabriel authored 1 year ago
  
  b1a4909e
- Biounits: chnge in chain naming strategy and added docu · 00731a02
  Studer Gabriel authored 1 year ago
  00731a02
Sep 06, 2023
- OMF: refactoring with breaking changes · b1f45f6c
  Studer Gabriel authored 1 year ago
  b1f45f6c