Commits · da3acd9d19459f3d270c637cb9530f5584d0c5f2 · Michal Malý / Molstar · GitLab

Snippets Groups Projects

Oct 03, 2019
- calculate model center as dynamic prop · da3acd9d
  Alexander Rose authored 5 years ago
  
  da3acd9d
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
- added StructureFromTrajectory, improved multi-model structures · 13cd6e82
  Alexander Rose authored 5 years ago
  
  13cd6e82
Aug 12, 2019
- mol-script: bond* => link*; make link tests "covalent" by default; wip link tests · ea46b1c8
  David Sehnal authored 5 years ago
  
  ea46b1c8
Aug 10, 2019
- wip, structure view tools · 5846d7c4
  Alexander Rose authored 5 years ago
  
  5846d7c4
- handle incompatibility of StructureElement.Query and Structure · 214176ce
  Alexander Rose authored 5 years ago
  
  214176ce
Aug 09, 2019
- added chemCompType and other mol-script improvements · 82e667e4
  Alexander Rose authored 5 years ago
  
  82e667e4
Aug 08, 2019
- added `objectPrimitive` to unit and mol-script · c28feb2d
  Alexander Rose authored 5 years ago
  
  c28feb2d
- StructureElement fixes · 286b2772
  Alexander Rose authored 5 years ago
  
  286b2772
Aug 07, 2019
- mol-model: implemented includeConnected query · d84d5f38
  David Sehnal authored 5 years ago
  
  d84d5f38
Aug 06, 2019
- improved StructureElement.Query · 2fc28f60
  Alexander Rose authored 5 years ago
  
  2fc28f60