 David Sehnal
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138c943f6e
Structure data model tweaks
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il y a 7 ans |
|
David Sehnal
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0427d52d97
Updated mol-geo to new Structure data model
|
il y a 7 ans |
|
David Sehnal
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f3616faefc
Refactoring Structure data model
|
il y a 7 ans |
|
David Sehnal
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e3a350deeb
Basic IHM support
|
il y a 7 ans |
|
David Sehnal
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3babfb55c3
Renamed Conformation to AtomSiteConformation
|
il y a 7 ans |
|
David Sehnal
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e5e116c6da
Updated ElementSet API
|
il y a 7 ans |
|
David Sehnal
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229043d93e
Merged mol-model branch
|
il y a 7 ans |
|
David Sehnal
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22190c178c
Renamed ElementGroup.id to key
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il y a 7 ans |
|
Alexander Rose
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5d342a3040
Merge branch 'master' into gl-geo, changed Location.atom to .element
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il y a 7 ans |
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David Sehnal
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4f77ec1c8a
Wrap query in a task
|
il y a 7 ans |
|
David Sehnal
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606dde2366
Renamed Atom* to Element*
|
il y a 7 ans |
|
David Sehnal
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7d4b9d1537
Coarse grained units
|
il y a 7 ans |
|
David Sehnal
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a8070e4136
CIF parser now uses mol-task
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il y a 7 ans |
|
Alexander Rose
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75cc576932
added on-demand file loading to structure perf-test
|
il y a 7 ans |
|
David Sehnal
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1d07b6a0dd
renamed mol-comp to mol-task
|
il y a 7 ans |
|
David Sehnal
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423f9c4753
Refactored Selection
|
il y a 7 ans |
|
David Sehnal
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9890d4807a
more accurate time management for Computation.Chunker
|
il y a 7 ans |
|
David Sehnal
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9a3b83d136
More atom set refactoring
|
il y a 7 ans |
|
David Sehnal
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277c83fbe4
Structure units is now just an array
|
il y a 7 ans |
|
David Sehnal
|
1f07aee54f
Refactor Structure to use IntMap for units
|
il y a 7 ans |
|
David Sehnal
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60d02b1f6a
Refactoring AtomSet (part 2)
|
il y a 7 ans |
|
David Sehnal
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ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
|
il y a 7 ans |
|
David Sehnal
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d597f1e88c
Higher tolerance for "symmetry operators"
|
il y a 7 ans |
|
David Sehnal
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75956de8cc
assembly generation working
|
il y a 7 ans |
|
David Sehnal
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c6c2994267
assembly parsing from mmCIF
|
il y a 7 ans |
|
David Sehnal
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d8437a78ef
SymmetryOperator in mol-math
|
il y a 7 ans |
|
David Sehnal
|
6b57151de6
CIF tensor fields should now be working
|
il y a 7 ans |
|
David Sehnal
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4efaf1c28b
Module refactoring
|
il y a 7 ans |
|
David Sehnal
|
4f70aa55f2
nicer CIF encoder API
|
il y a 7 ans |
|
David Sehnal
|
4627b9ada5
BinaryCIF decoding tweaks
|
il y a 7 ans |
