Commits · 3ea3fb898459628d0e9cadc2d5c473cb412cc7b1 · Michal Malý / Molstar · GitLab

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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
- loci helper methods, isEmpty · 90a3d302
  Alexander Rose authored 5 years ago
  
  90a3d302
Aug 27, 2019
- renamed StructureElement.Query to StructureElement.Bundle · 5a704b79
  Alexander Rose authored 5 years ago
  
  5a704b79
- split up StructureElement · 2376d0a9
  Alexander Rose authored 5 years ago
  
  2376d0a9
- added StructureElement.Stats and improved loci-labels · b0954943
  Alexander Rose authored 5 years ago
  
  b0954943
- added entity.subtype based on _entity_poly.type and _pdbx_entity_branch.type · 1ed420ae
  Alexander Rose authored 5 years ago
  
  1ed420ae
Aug 23, 2019
- fix Structure.unitIndexMap creation when units are unsorted · 527e91c9
  Alexander Rose authored 5 years ago
  
  527e91c9
Aug 22, 2019
- added Structure.serialMapping · 34798179
  Alexander Rose authored 5 years ago
  
  34798179
Aug 20, 2019
- added Structure.root · 5e83c335
  Alexander Rose authored 5 years ago
  
  5e83c335
Aug 19, 2019
- tweaked structure labeling · df9b367e
  Alexander Rose authored 5 years ago
  
  df9b367e
Aug 18, 2019
- optimized repr loci iteration, marking and extendToWholeChains · ed1ae71f
  Alexander Rose authored 5 years ago
  
  ed1ae71f
- fix wrong props object in Structure creation · 1c58bca4
  Alexander Rose authored 5 years ago
  
  1c58bca4
Aug 15, 2019
- only extract CrossLinkRestraints when needed · 6b874786
  Alexander Rose authored 5 years ago
  
  6b874786
- fixed symmetry operator when NCS operators are present · f9d25604
  Alexander Rose authored 5 years ago
  
  f9d25604