 Alexander Rose
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b16d13cc35
interactions, links to contacts renaming
|
il y a 5 ans |
|
Alexander Rose
|
f03471ee39
tweaked interaction params
|
il y a 5 ans |
|
Alexander Rose
|
6f1f65487d
string, kebab case
|
il y a 5 ans |
|
Alexander Rose
|
b863aaedb3
general support for aromatic rings
|
il y a 5 ans |
|
Alexander Rose
|
b77994d01f
improved bond handling
|
il y a 5 ans |
|
Alexander Rose
|
30e01c07f7
add interactions repr to surroundings behavior
|
il y a 5 ans |
|
Alexander Rose
|
1e018b82df
interactions repr: use size theme
|
il y a 5 ans |
|
Alexander Rose
|
49e6966037
fixe & improved interaction refiners
|
il y a 5 ans |
|
Alexander Rose
|
85b1df46cd
improved checkLineOfSight
|
il y a 5 ans |
|
Alexander Rose
|
6908a2cd2b
copy structure.lookup.findUnitIndices results
|
il y a 5 ans |
|
Alexander Rose
|
4379d818ab
fix interactions/valence-model label behavior
|
il y a 5 ans |
|
Alexander Rose
|
4434dfb79a
fix .firstChainLoc assignment in handleUnitChainsSimple
|
il y a 5 ans |
|
Alexander Rose
|
9621f67e84
helper to copy lookup results
|
il y a 5 ans |
|
Alexander Rose
|
21a0684353
wip, interactions refiners
|
il y a 5 ans |
|
Alexander Rose
|
3601955433
wip, interactions, various fixes
|
il y a 5 ans |
|
Alexander Rose
|
d91483c485
implemented areFeaturesWithinDistanceSq
|
il y a 5 ans |
|
Alexander Rose
|
8b3d07906f
wip, refactored refineInteractions, added weakHydrogenBondsRefiner
|
il y a 5 ans |
|
Alexander Rose
|
5f8a4b6be4
better types for IntAdjacencyGraph and GridLookup3D
|
il y a 5 ans |
|
Alexander Rose
|
f8ff919787
wip, interactions, fix hydrogen bond distance test
|
il y a 5 ans |
|
Alexander Rose
|
6dfe975fc7
wip, interactions refinement
|
il y a 5 ans |
|
Alexander Rose
|
2650f8d3dd
wip, renamed links to contacts for interactions
|
il y a 5 ans |
|
Alexander Rose
|
f172b6ceaa
wip, interactions
|
il y a 5 ans |
|
Alexander Rose
|
8086af1bf7
impoved SetUtils
|
il y a 5 ans |
|
Alexander Rose
|
5813840e17
wip, interactions
|
il y a 5 ans |
|
Alexander Rose
|
e2d595394a
wip, interactions
|
il y a 5 ans |
|
Alexander Rose
|
9b24e6fb1f
add rings selection to UI
|
il y a 5 ans |
|
Alexander Rose
|
0f33144935
wip, various nci fixes and tweaks
|
il y a 5 ans |
|
Alexander Rose
|
6d384166d5
fix, rings must have at least three elements
|
il y a 5 ans |
|
Alexander Rose
|
8b766dc242
tweak, use Box3D.size
|
il y a 5 ans |
|
Alexander Rose
|
1fa64c836c
wip, charged interactions
|
il y a 5 ans |
