 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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57f1aa51f3
Model.entities is now a standalone property, updated CoraseGrained,
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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22d208ff33
added Model.sequence
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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47c1ac3b77
added ihm extension to mmcif schema
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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5d022ffed5
Fixes to group bond computation
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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837f5eaef3
Compute bonds on unit level
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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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15c351e7a2
Moved ElementGroup.getLookup3d to Unit.getLookup3d
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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835185bb69
Tweaks
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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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e69b31bae7
Removed old grid lookup
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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0b038559eb
structure boundary
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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c113aac2ef
Structure level lookup3d (part 1)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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a04ed8135d
refactoring grid lookup (step 3)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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81d5caf818
refactoring grid lookup (step 2)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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9e18486673
refactoring grid lookup (step 1)
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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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David Sehnal
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134df3003d
ChunkedArray
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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2af9f1af89
Chunked array tweaks
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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9699a23a12
started annotations
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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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Alexander Rose
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747f12bd19
added cylinder primitive, default props, repr task
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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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Alexander Rose
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9ec290fcfa
convert to use ValueCell
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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678701c2b7
chunked-array update
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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0e16108fd6
Updated tensors in mol-math
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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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Alexander Rose
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1e4efba90a
Merge branch 'master' into gl-geo
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%!s(int64=7) %!d(string=hai) anos |
