 Alexander Rose
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b83fed4701
refactored DataLoci, DataLocation and improved props
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5 lat temu |
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Alexander Rose
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20266a229b
added Structure.eachUnitPair
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5 lat temu |
|
Alexander Rose
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3d6ae08437
wip, custom property refactoring
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5 lat temu |
|
Alexander Rose
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693ea3a40e
refactored CustomStructureProperties & updated RCSB assembly symmetry
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5 lat temu |
|
Alexander Rose
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b16d13cc35
interactions, links to contacts renaming
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5 lat temu |
|
Alexander Rose
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f03471ee39
tweaked interaction params
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5 lat temu |
|
Alexander Rose
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30e01c07f7
add interactions repr to surroundings behavior
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5 lat temu |
|
Alexander Rose
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6908a2cd2b
copy structure.lookup.findUnitIndices results
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5 lat temu |
|
Alexander Rose
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21a0684353
wip, interactions refiners
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5 lat temu |
|
Alexander Rose
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5f8a4b6be4
better types for IntAdjacencyGraph and GridLookup3D
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5 lat temu |
|
Alexander Rose
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6dfe975fc7
wip, interactions refinement
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5 lat temu |
|
Alexander Rose
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2650f8d3dd
wip, renamed links to contacts for interactions
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5 lat temu |
|
Alexander Rose
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f172b6ceaa
wip, interactions
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5 lat temu |
|
Alexander Rose
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5813840e17
wip, interactions
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5 lat temu |
|
Alexander Rose
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e2d595394a
wip, interactions
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5 lat temu |
|
Alexander Rose
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0f33144935
wip, various nci fixes and tweaks
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5 lat temu |
|
Alexander Rose
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1fa64c836c
wip, charged interactions
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5 lat temu |
|
Alexander Rose
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af700c1481
wip, refactored interaction computation
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5 lat temu |
|
Alexander Rose
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7dcf16cd97
wip, interactions, halogen bonds
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5 lat temu |
|
Alexander Rose
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f86b46076c
wip, interactions & valence-model label providers
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5 lat temu |
|
Alexander Rose
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0f4d0ff986
wip, interactions, features in invariant space
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5 lat temu |
|
Alexander Rose
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2b73f9cafd
improved hbond param handling
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5 lat temu |
|
Alexander Rose
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a86438a265
wip, interactions & hydrogen bonds
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5 lat temu |
|
Alexander Rose
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97e6884487
wip, fix interactions marking
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5 lat temu |
|
Alexander Rose
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8fd56dbc38
wip, interactions
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5 lat temu |
