 JonStargaryen
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74aa24bfa0
traceOnly: check for BB as well
|
il y a 4 ans |
|
JonStargaryen
|
30d5b0ddb1
rename to traceOnly
|
il y a 4 ans |
|
JonStargaryen
|
d10a36509b
ignore non-canonical aa
|
il y a 4 ans |
|
JonStargaryen
|
9f176bd2bc
add alpha-oonly option to asa calc
|
il y a 4 ans |
|
Alexander Rose
|
a16faaac4e
avoid some static dependencies
|
il y a 4 ans |
|
Alexander Rose
|
bb7d3e075c
change comp_id to be atom property to support micro heterogeneity
|
il y a 5 ans |
|
David Sehnal
|
fb0634a0f4
added semicolons to linting rules
|
il y a 5 ans |
|
David Sehnal
|
a080114690
added Structure property to StructureElement and Bond locations
|
il y a 5 ans |
|
Alexander Rose
|
48a75927f6
renamed 'link' to 'bond' as appropriate
|
il y a 5 ans |
|
Alexander Rose
|
fb15cc135a
wip, handle custom custom structure props as on-demand dependencies
|
il y a 5 ans |
|
Alexander Rose
|
d9579914b4
improved accessible-surface-area computation
|
il y a 5 ans |
|
Sebastian Bittrich
|
b5076edc8d
accessible surface area calculation improvements
|
il y a 5 ans |
