 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 |
|
Alexander Rose
|
af700c1481
wip, refactored interaction computation
|
il y a 5 ans |
|
Alexander Rose
|
7dcf16cd97
wip, interactions, halogen bonds
|
il y a 5 ans |
|
Alexander Rose
|
f86b46076c
wip, interactions & valence-model label providers
|
il y a 5 ans |
|
Alexander Rose
|
6fe58d7b73
wip, various interactions computation fixes
|
il y a 5 ans |
|
Alexander Rose
|
8c2a4b5cae
fix unitTransforms reset with complex representation
|
il y a 5 ans |
|
Alexander Rose
|
b2c31f5166
fix unit instance marking
|
il y a 5 ans |
|
Alexander Rose
|
0f4d0ff986
wip, interactions, features in invariant space
|
il y a 5 ans |
|
Alexander Rose
|
2b73f9cafd
improved hbond param handling
|
il y a 5 ans |
|
Alexander Rose
|
a86438a265
wip, interactions & hydrogen bonds
|
il y a 5 ans |
