Commits · 81732b1e56e5bce9b5a233be6e4bc231b5b47dc1 · Michal Malý / Molstar · GitLab

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Mar 27, 2019
- testPoint is now defined outside of loop · 81732b1e
  Sebastian Bittrich authored 6 years ago
  
  81732b1e
- improved handling of modified residues · 4d94a668
  Sebastian Bittrich authored 6 years ago
  
  4d94a668
- lookup3d at structure level, color provider · 5b8471bc
  Sebastian Bittrich authored 6 years ago
  
  5b8471bc
Mar 25, 2019
- removes random OS file from project · c2af2cdb
  Sebastian Bittrich authored 6 years ago
  
  c2af2cdb
- unbiased VDW radius assignment for non-polymer atoms · 05a4321d
  Sebastian Bittrich authored 6 years ago
  
  05a4321d
- stub to consider non-polymer groups for computation · fb60cb58
  Sebastian Bittrich authored 6 years ago
  
  fb60cb58
- support for nucleotides · 91fff322
  Sebastian Bittrich authored 6 years ago
  
  91fff322
- respect for BioJava · 472ee474
  Sebastian Bittrich authored 6 years ago
  
  472ee474
- actually initializes arrays, a strict requirement to get results · 94155295
  Sebastian Bittrich authored 6 years ago
  
  94155295
- adds stub for buried state flag · 5cc1d650
  Sebastian Bittrich authored 6 years ago
  
  5cc1d650
- establishes PD handling of parameters · 380fd092
  Sebastian Bittrich authored 6 years ago
  
  380fd092
Mar 22, 2019
- removes safety net to avoid dying for 3j3q · 0c3d4b4c
  Sebastian Bittrich authored 6 years ago
  
  0c3d4b4c
- better add files to commit · cf993ab0
  Sebastian Bittrich authored 6 years ago
  
  cf993ab0
- 4x speedup by limiting # of sphere points to original value · e02fefa6
  Sebastian Bittrich authored 6 years ago
  
  e02fefa6
- wrong assignment of values resolved · 696b188b
  Sebastian Bittrich authored 6 years ago
  
  696b188b
Mar 21, 2019
- ASA calc now uses lookup3d and ties results to atoms and residues · 623009b2
  Sebastian Bittrich authored 6 years ago
  
  623009b2
- cleanup · e403c371
  Sebastian Bittrich authored 6 years ago
  
  e403c371
- allows for ASA visualization by really dirty means · a040cde9
  Sebastian Bittrich authored 6 years ago
  
  a040cde9
- normalization of ASA values · e5b6ac39
  Sebastian Bittrich authored 6 years ago
  
  e5b6ac39
- summing up ASA values for residues · 0bd7bdfe
  Sebastian Bittrich authored 6 years ago
  
  0bd7bdfe
Mar 20, 2019
- calculation of atom ASA · e8e79ab0
  Sebastian Bittrich authored 6 years ago
  
  e8e79ab0
- employs switch-case for radii determination · e94d3a69
  Sebastian Bittrich authored 6 years ago
  
  e94d3a69
- computation of atom radii · 8d2ba31a
  Sebastian Bittrich authored 6 years ago
  
  8d2ba31a
- color provider for accessible surface area · d48efc69
  Sebastian Bittrich authored 6 years ago
  
  d48efc69
Mar 11, 2019
- fixed wrong PNA backboneEnd atom name · 2325ac9a
  Alexander Rose authored 6 years ago
  
  2325ac9a
- fixed isoValue equality checking · e7defe52
  Alexander Rose authored 6 years ago
  
  e7defe52
Mar 10, 2019
- mol-repr: partially fixed a bug that caused unnecessary volume surface recalc · f0b242bd
  David Sehnal authored 6 years ago
  
  f0b242bd
Mar 07, 2019
- wip refactoring RepresentationState · 019d03b5
  David Sehnal authored 6 years ago
  
  019d03b5
Mar 05, 2019
- added StructureSelection.toLoci2 returning the source units · 6873b798
  Alexander Rose authored 6 years ago
  
  (propably won't work for queries that create units with new transforms)
  6873b798
Mar 04, 2019
- mol-model: make StructureElement.Loci.toScriptExpression work on assemblies · 4e9333b5
  David Sehnal authored 6 years ago
  
  4e9333b5
Mar 03, 2019
- mol-plugin: basic structure labels support · a4cd6748
  David Sehnal authored 6 years ago
  
  a4cd6748
- fixed bug in SortedArray.hashCode & possible bug in UnitsVisual.prepareUpdate · 47055f4c
  David Sehnal authored 6 years ago
  
  47055f4c
- wip interactive visuals · 102c64cd
  David Sehnal authored 6 years ago
  
  102c64cd
Mar 02, 2019
- mol-plugin: create structure from selection, better element loci to query translation · 28fab6a5
  David Sehnal authored 6 years ago
  
  28fab6a5
- StructureElement.Loci.toScriptExpression, mol-script fixes · 118daa2b
  David Sehnal authored 6 years ago
  
  118daa2b
- added sourceIndex property to mol-script · a5286338
  David Sehnal authored 6 years ago
  
  a5286338
- mol-model: added sourceIndex to AtomicHierarchy · a81bcf43
  David Sehnal authored 6 years ago
  
  a81bcf43
Mar 01, 2019
- mol-plugin: StructureElement.Loci.getBoundary · 27f10d52
  David Sehnal authored 6 years ago
  
  27f10d52
- mol-plugin: StructureElement.Loci.extendToWholeResidues · 2013ed92
  David Sehnal authored 6 years ago
  
  2013ed92
Feb 28, 2019
- basic structure selection model, fixed bug in OrderedSet · eafb6fe1
  David Sehnal authored 6 years ago
  
  eafb6fe1