Commits · d0189523e4b343e67776eb68cf79b66b8973664f · Michal Malý / Molstar · GitLab

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Oct 17, 2019
- fix Loci stats for partial residue selections · d0189523
  Alexander Rose authored 5 years ago
  
  d0189523
Oct 16, 2019
- added StructureElement.Loci.toStructure · 6ae3d411
  Alexander Rose authored 5 years ago
  
  6ae3d411
- moved StructureQuery.runExpr to Script.getStructureSelection to fix cyclic dep · 17a440ad
  David Sehnal authored 5 years ago
  
  17a440ad
- check seqId compatibility for cyclic peptides · 04dcfc7a
  Alexander Rose authored 5 years ago
  
  04dcfc7a
- mol-model: added StructureQuery.runExpr · ca66e334
  David Sehnal authored 5 years ago
  
  ca66e334
- mol-script: added internal.generator.current symbol · 54bba4c9
  David Sehnal authored 5 years ago
  
  54bba4c9
- mol-script: added Bundle support · 9c046b80
  David Sehnal authored 5 years ago
  
  9c046b80
- mol-model: Loci fixes · ca5d1865
  David Sehnal authored 5 years ago
  
  ca5d1865
Oct 15, 2019
- mol-model: renamed StructureSelection.toLoci* · 6ac790e0
  David Sehnal authored 5 years ago
  
  6ac790e0
- added highlight example to basic wrapper, better empty loci handling · d0870e4b
  David Sehnal authored 5 years ago
  
  d0870e4b
Oct 14, 2019
- consider coarse/non-coarse backbone when checking distance for backbone links · 8e2521a7
  Alexander Rose authored 5 years ago
  
  8e2521a7
Oct 11, 2019
- wip, terminal gaps · 7dd7a117
  Alexander Rose authored 5 years ago
  
  7dd7a117
- handle polymer ends in visuals properly · defbadf4
  Alexander Rose authored 5 years ago
  
  defbadf4
Oct 08, 2019
- add focus button to StructureSelectionControls · 5f880e92
  Alexander Rose authored 5 years ago
  
  5f880e92
Oct 07, 2019
- added StructureSymmetryMatesFromModel transform, fixes for findMatesRadius · 00f9dcee
  Alexander Rose authored 5 years ago
  
  00f9dcee
Oct 05, 2019
- improved lociApply for whole structures · c5a99a7c
  Alexander Rose authored 5 years ago
  
  c5a99a7c
Oct 04, 2019
- also look for 4 and 7 member sugar rings · cfaf33d6
  Alexander Rose authored 5 years ago
  
  cfaf33d6
- for unknown carbs draw polygonal prisms · b38193aa
  Alexander Rose authored 5 years ago
  
  b38193aa
Oct 03, 2019
- carbohydrate improvements, updated carb table · c57311d6
  Alexander Rose authored 5 years ago
  
  c57311d6
- show full compId for modified residues in sequence widget · 062e3e05
  Alexander Rose authored 5 years ago
  
  062e3e05
- calculate symmetry operators for transform around deposited coordinates · cbf312b6
  Alexander Rose authored 5 years ago
  
  cbf312b6
- calculate model center as dynamic prop · da3acd9d
  Alexander Rose authored 5 years ago
  
  da3acd9d
Oct 02, 2019
- mol-model & formats: added fallback when chem_comp category is missing · 58b1d7e0
  David Sehnal authored 5 years ago
  
  58b1d7e0
Sep 30, 2019
- tweak some bond distance thresholds · 7061d575
  Alexander Rose authored 5 years ago
  
  7061d575
- improved entity subtype assignment (use chem comp type) · 83a1e6c8
  Alexander Rose authored 5 years ago
  
  83a1e6c8
Sep 24, 2019
- added AtomicUnit.residueCount · d81f37c7
  Alexander Rose authored 5 years ago
  
  d81f37c7
- StructureSequence, handle empty coarse hierarchies · c2979ce5
  Alexander Rose authored 5 years ago
  
  c2979ce5
- mol-plugin: better default Structure Complex, extended StructureComplexElement transform · beefb792
  David Sehnal authored 5 years ago
  
  beefb792
Sep 23, 2019
- sequence improvements, create sequence from coarse elements · 3eec30aa
  Alexander Rose authored 5 years ago
  
  3eec30aa
Sep 20, 2019
- adjusted maxCovalentHydrogenBondingLength · e3483f11
  Alexander Rose authored 5 years ago
  
  e3483f11
- fix Props.residue.label_comp_id for micro het · 244a678a
  Alexander Rose authored 5 years ago
  
  244a678a
Sep 11, 2019
- basic microheterogeneity support · 72b1c361
  Alexander Rose authored 5 years ago
  
  72b1c361
Sep 05, 2019
- mol-model: added Model.entryId; mol-plugin: toggle validation tooltip; fixed... · eac4a898
  David Sehnal authored 5 years ago
  
  mol-model: added Model.entryId; mol-plugin: toggle validation tooltip; fixed using correct entryId for various custom properties
  eac4a898
Sep 04, 2019
- add .uniqueElementCount and .polymerUnitCount to Structure · 79510614
  Alexander Rose authored 5 years ago
  
  79510614
Aug 31, 2019
- lazy calculation of Structure.polymerResidueCount · 0ce2966c
  Alexander Rose authored 5 years ago
  
  0ce2966c
- adjust grid-cell-count in partitionAtomicUnitByResidue · f2c04a13
  Alexander Rose authored 5 years ago
  
  f2c04a13
Aug 29, 2019
- mol-model: optionally compute centroid based bounding sphere (disabled for now) · ce0ff2fe
  David Sehnal authored 5 years ago
  
  ce0ff2fe
- overpaint improvements, merge and filter · e28749b7
  Alexander Rose authored 5 years ago
  
  e28749b7
Aug 28, 2019
- added Script namespace with helpers · 8b76c095
  Alexander Rose authored 5 years ago
  
  8b76c095
- StructureElement loci & bundle fixes · 91842199
  Alexander Rose authored 5 years ago
  
  91842199