 David Sehnal
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90ddb3dc34
remove Model.customData
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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4cd7f0575e
mol-model: Model.customData & G3d support improvements
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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c29648ac9b
more reusable units, added model.parent, finer repr updates
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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482059cc9b
first class Trajectory object
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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5b698b816e
basic partial charge and pdbt support
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%!s(int64=5) %!d(string=hai) anos |
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David Sehnal
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a2bf489017
fix bond ordering when creating structure from Topology
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%!s(int64=5) %!d(string=hai) anos |
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David Sehnal
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aca49b9ba5
PSF parser fix, correct topology/coordinates ordering (wip)
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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bceb044552
add structure-info behavior and plugin-wide properties
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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d500393501
added Model.TrajectoryInfo
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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86c09ead98
added Model helpers
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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50d95ccf6a
volume refactoring
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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5007f5fb72
added VolumeData.sourceData: ModelFormat
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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d9b140f9f2
added Model.probablyHasDensityMap
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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27ee576340
improved .hasDensityMap and .isFromPdbArchive helpers
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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09c83e83ba
improved Model.isFromPdbArchive
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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a4386744a2
fix Model.hasCrystalSymmetry test
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%!s(int64=5) %!d(string=hai) anos |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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92a86e324b
more general Model.hasCrystalSymmetry
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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dbde7521e4
improved volume streaming type determination
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%!s(int64=5) %!d(string=hai) anos |
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David Sehnal
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28edfd810c
mol-model: molstar_atom_site_operator_mapping parsing
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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3cd9042c72
added helpers to Model, better InitVolumeStreaming.isApplicable check
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%!s(int64=5) %!d(string=hai) anos |
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David Sehnal
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4d5d9be399
wip: source structure manager
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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3cecb53bc5
added model.properties.structAsymMap
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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ec45f6c0ee
removed 'modified residues'
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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1293848d9b
refactored ModelFormat
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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7a64334261
split mmcif parser into basic part and properties
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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5d5ffcdb36
trajectory from topology and coordinates
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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fd92c916b7
added coordinates support to model
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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7dd7a117cb
wip, terminal gaps
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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da3acd9d19
calculate model center as dynamic prop
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%!s(int64=5) %!d(string=hai) anos |
