Commits · 9c4665d52f9b51d36d60f17502a2a4f575e9bd16 · schwede / openstructure · GitLab

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Jan 04, 2024
- mmcif writer: delegate chain typing to dedicated functions in ost mol · 9c4665d5
  Studer Gabriel authored 1 year ago
  
  9c4665d5
- mmcif writer: CHAINTYPE_OLIGOSACCHARIDE is strictly entity.type 'branched' · 766884be
  Studer Gabriel authored 1 year ago
  
  766884be
Jan 03, 2024
- mmcif writer: docu update · 9ce204c0
  Studer Gabriel authored 1 year ago
  
  9ce204c0
- Remove obsolete warning about MMCifInfo dependency on seqres · 2cecdb17
  Xavier Robin authored 1 year ago
  2cecdb17
Jan 02, 2024
- mmcif writer: Heuristic for different _chem_comp.type for same compound name · be7342df
  Studer Gabriel authored 1 year ago
  be7342df
- mmcif writer: basic SaveMMCIF function in ost.io · 9e290dd9
  Studer Gabriel authored 1 year ago
  9e290dd9
- mmcif writer: move stream handling to StarWriter::Write · 93fd5743
  Studer Gabriel authored 1 year ago
  93fd5743
- mmcif writer: automatically apply gzip compression when file ends with ".gz" · f791529c
  Studer Gabriel authored 1 year ago
  
  f791529c
- mmcif writer: remove the requirement of IOProfile · bca9cd36
  Studer Gabriel authored 1 year ago
  bca9cd36
- biounits: naming conflicts of AU chains with identity transform applied · 529ccde9
  Studer Gabriel authored 1 year ago
  529ccde9
- test: SCHWED-6108 update tests accordingly · a9f5bf0d
  Xavier Robin authored 1 year ago
  
  a9f5bf0d
- doc: SCHWED-6108 improved comments on chain_type · ddc30445
  Xavier Robin authored 1 year ago
  
  ddc30445
- fix: SCHWED-6108 read other as CHAINTYPE_POLY · 5e2626ed
  Xavier Robin authored 1 year ago
  5e2626ed
Dec 31, 2023
- mmcif writer: Allow to call SetStructure only once on a MMCifWriter instance · 87ceb277
  Studer Gabriel authored 1 year ago
  
  87ceb277
- mmcif writer: clarify error message · 973d7e94
  Studer Gabriel authored 1 year ago
  
  973d7e94
- mmcif writer: simplify · fa8c653c
  Studer Gabriel authored 1 year ago
  
  fa8c653c
- mmcif writer: remove unnecessary checks · f013fe21
  Studer Gabriel authored 1 year ago
  
  f013fe21
- mmcif writer: better checking for valid resnums in resnum based alignments · 4e15e70b
  Studer Gabriel authored 1 year ago
  
  4e15e70b
Dec 30, 2023
- mmcif writer: clarify error message for insertion codes · a7553694
  Studer Gabriel authored 1 year ago
  a7553694
- mmcif writer: clarify error message for negative residue numbers · 86eb4b1d
  Studer Gabriel authored 1 year ago
  86eb4b1d
- mmcif writer: Don't write loops that contain no data · 1fdb33ed
  Studer Gabriel authored 1 year ago
  1fdb33ed
Dec 22, 2023
- Fail cleanly for gaps in unknown polymer chain types · aa4c41a5
  Xavier Robin authored 1 year ago
  aa4c41a5
Dec 21, 2023
- mmcif writer: dont ask · 81ea25b5
  Studer Gabriel authored 1 year ago
  
  81ea25b5
- mmcif writer: export raw star writer functionality · 8de5402f
  Studer Gabriel authored 1 year ago
  8de5402f
- mmcif writer: bugfix · fcc15eca
  Studer Gabriel authored 1 year ago
  
  fcc15eca
- mmcif writer: refactor · 34222722
  Studer Gabriel authored 1 year ago
  34222722
- Minimal support for oligosaccharides · 22f878cc
  Xavier Robin authored 1 year ago
  22f878cc
- fix: pdb author resnum/insertion code in atom_sites · aa4736e4
  Xavier Robin authored 1 year ago
  
  aa4736e4
- mmcif writer: Use controlled vocabulary for _chem_comp.type · 9825e096
  Studer Gabriel authored 1 year ago
  
  9825e096
- Improve error message · 72db49af
  Xavier Robin authored 1 year ago
  
  72db49af
- 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