 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 |
|
Alexander Rose
|
c0b5102d31
bonds tweaks
|
il y a 5 ans |
|
Alexander Rose
|
feab3a38f9
add unit kind helpers to Structure
|
il y a 5 ans |
|
Alexander Rose
|
b1fb9c5c47
renamed 'structure-element-index' to 'unit-element-index'
|
il y a 5 ans |
|
Alexander Rose
|
9fb65f46a1
wip, bond compute todos
|
il y a 5 ans |
|
Alexander Rose
|
7a2e85b856
always use root topology for valence model
|
il y a 5 ans |
|
Alexander Rose
|
f85e3e76fd
add CustomStructureProperty.type determining inheritance
|
il y a 5 ans |
|
Alexander Rose
|
c6ef02d0a6
factored out Unit BaseProperties
|
il y a 5 ans |
|
Alexander Rose
|
81a6e3cf4e
package updates
|
il y a 5 ans |
|
Alexander Rose
|
48a75927f6
renamed 'link' to 'bond' as appropriate
|
il y a 5 ans |
|
Alexander Rose
|
067a85ef88
avoid console.log when not in debug-mode
|
il y a 5 ans |
|
Alexander Rose
|
c4757313e6
fix typo
|
il y a 5 ans |
|
Alexander Rose
|
88d8998bd2
generalized InterUnitBonds to InterUnitGraph
|
il y a 5 ans |
|
Alexander Rose
|
97e6884487
wip, fix interactions marking
|
il y a 5 ans |
|
Alexander Rose
|
8fd56dbc38
wip, interactions
|
il y a 5 ans |
|
Alexander Rose
|
f9c97ad5cb
fix regression, only calc dssp for non-archival files by default
|
il y a 5 ans |
