 Alexander Rose
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13cd6e82ba
added StructureFromTrajectory, improved multi-model structures
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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2c55165c84
use relative paths for module imports
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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57f5779531
mol-model: added parent & coordinate system to Structure
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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6873b798d3
added StructureSelection.toLoci2 returning the source units
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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53c8ba549f
wip selection model
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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84d9a1b8bc
added assembly property to SymmetryOperator; improved AssemblySymmetry
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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f22e9815e4
added assemblyName to structure
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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ec99c5f246
made structure part of element and link loci
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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486e860575
mol-model/query expandProperty, some "query modifer" tweaks
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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4ec57eb89b
mol-model/query intersectBy, exceptBy, union
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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e583efef28
wip, mol-model query
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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ca07545727
wip, mol-model/queries
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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ee99546d72
wip, refactoring mol-model/query
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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9de8f2a133
StructureElement type tweaks
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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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b35a60fbea
Int collection type tweaks
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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e0283d88c7
wip, nominal Element and Element.Index
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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5ceb7c1f51
Use OrderedSet for Element.Loci
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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cb0c05188c
Basic sequence view with loci event raising
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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f52ee9db2a
Structure and selection cosntruction updates
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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efa5ef1bd5
IntraUnitBonds and other stuff
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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f3616faefc
Refactoring Structure data model
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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e5e116c6da
Updated ElementSet API
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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606dde2366
Renamed Atom* to Element*
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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f16c699d3b
Added linked list to mol-data, refactoring
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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d24dab3b24
tweaking data model
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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423f9c4753
Refactored Selection
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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9a3b83d136
More atom set refactoring
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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277c83fbe4
Structure units is now just an array
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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b4aab810ad
Working on structure data model
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%!s(int64=7) %!d(string=hai) anos |
