 David Sehnal
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c358259437
Improved G3d support
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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0a7b3fa396
Fix gaussian surface bounding sphere radius
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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e5cf8bcc04
dihedral angle label fix
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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f93230ce44
1.1.9
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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bdde2cea31
mol-math: IntAdjacencyGraph.areEqual, remove hashCode
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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d44bb6c908
mol-model: Fast unit conformation comparison
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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052e30b739
1.1.8
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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48a7ac80f5
arg fix
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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c9717c2332
avoid unneccesary marking
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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aaed0a9a63
hashCode for bonds to avoid re-creating repr
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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c29648ac9b
more reusable units, added model.parent, finer repr updates
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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cb1f52a8f4
index-pairs bonds fixes & improvements, better cif-core bond handling
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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5f759edc1b
optimized cylinder meshBuilder
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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8897261836
decoupled structure.boundary from lookup
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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23b1426567
fix computeIntraUnitBonds from IndexPairBonds
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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329658ff54
fix computeInterUnitBonds from IndexPairBonds
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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482059cc9b
first class Trajectory object
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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4e509fc479
Fix clipping object angle (convert to rad)
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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6b1edd9d10
basic G3D support
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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d0c692fe03
1.1.7
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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36ee1089a8
updated packages
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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723bf3e657
model-server: 404 response on missing inputs
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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dc08e524b3
1.1.6
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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3ecd305adf
Merge pull request #73 from JonStargaryen/chem-comp
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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60eb42391e
use isNonMetalBond
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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26f5210518
make ctx-aware
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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7b41d800c0
use for of to check non-metals
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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3aa9ef7595
rename chem_comp_bond to chem_comp_dict
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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fad5a40ec4
Merge remote-tracking branch 'upstream/master' into chem-comp
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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58e0ba016e
rename to atoms/chem_comp and bonds/chem_comp
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%!s(int64=4) %!d(string=hai) anos |
