 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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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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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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dd475dc679
Refactored Task to use run/runAsChild calls on the object itself
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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3580533276
Wrap Model.create in Task
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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ba2a4f3a99
More refactoring of mol-model
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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059a09d63e
Added spacegroups to mol-model
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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138c943f6e
Structure data model tweaks
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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0427d52d97
Updated mol-geo to new Structure data model
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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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e3a350deeb
Basic IHM support
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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3babfb55c3
Renamed Conformation to AtomSiteConformation
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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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229043d93e
Merged mol-model branch
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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22190c178c
Renamed ElementGroup.id to key
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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5d342a3040
Merge branch 'master' into gl-geo, changed Location.atom to .element
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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4f77ec1c8a
Wrap query in a task
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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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7d4b9d1537
Coarse grained units
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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a8070e4136
CIF parser now uses mol-task
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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75cc576932
added on-demand file loading to structure perf-test
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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1d07b6a0dd
renamed mol-comp to mol-task
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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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9890d4807a
more accurate time management for Computation.Chunker
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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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1f07aee54f
Refactor Structure to use IntMap for units
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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60d02b1f6a
Refactoring AtomSet (part 2)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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d597f1e88c
Higher tolerance for "symmetry operators"
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%!s(int64=7) %!d(string=hai) anos |
