 David Sehnal
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916ef886f5
renamed model-parses to model-formats
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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7997dfccee
wip mol-model-parsers
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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612910704c
wip mol-model-parsers
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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abc545a997
wip mol-script, 1st compiled query
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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a8a746142d
Refactoring UnitRings, carbs computation
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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9633bf7071
Mod residues mmCIF export, segmentation data model fixes, other fixes
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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8cce7a8a79
Element => ElementIndex, Element.Location => StructureElement
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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1cb4913012
wip. renaming AtomicHierarchy elements
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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72190cf91d
Renamed SecondaryStructure 'index' back to 'key'
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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dc59cb88dc
wip, seconadry structure export, updated sec. struct data model
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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aedb03f668
comments, cleanup
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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0a253bc409
multimodel IHM is now parsed into separate models
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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87171e14e8
wip, refactoring mmCIF parsing for better IHM model support
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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1c0043b789
Merge branch 'master' into bond-repr
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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25965d307a
chem_comp_bond as custom property
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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c1d54facc6
moved Queries.props to StructureProperies, wip custom props
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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66dc6fbb60
wip, inter unit bonds
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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f94007bef2
Parse and generate NCS operators
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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31c3955f1c
Include CifFrame in Format.mmCif, fix makeBuckets
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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dd6dcddaba
Update Structure construction from Model
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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52a8a0e55b
Merge "single residue units" together in Structure.ofModel
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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a81db69edc
Only keep modified residue name mapping
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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0b9f31b45e
Mod res support
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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565a5ed92e
Added InterUnitLinks and renamed "bonds" to "links"
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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2a3f2e9969
Added UnitRings
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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e3f49b61a1
Sequence as more 1st class citizen
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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369ff8e54c
Added IntGraph and using it for IntraUnitBonds
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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ac1e2b0d51
Query wholeResidues, includeSurroundings
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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59f5f0caec
Parse sec struct from mmCIF
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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dd475dc679
Refactored Task to use run/runAsChild calls on the object itself
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%!s(int64=7) %!d(string=hai) anos |
