 Sebastian Bittrich
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66b4fcdc2c
simplify
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%!s(int64=2) %!d(string=hai) anos |
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Sebastian Bittrich
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27a953795c
use `ComponentBond.Provider`
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%!s(int64=2) %!d(string=hai) anos |
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Sebastian Bittrich
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6ada52bc0b
names
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%!s(int64=2) %!d(string=hai) anos |
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Sebastian Bittrich
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c526cb9f08
consolidate params
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%!s(int64=2) %!d(string=hai) anos |
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Sebastian Bittrich
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a1662d76fb
parse CCD files
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%!s(int64=2) %!d(string=hai) anos |
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Alexander Rose
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bf4e5ed7c2
normalize mmcif data
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%!s(int64=3) %!d(string=hai) anos |
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Alexander Rose
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e28674d0dc
model format improvements
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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5b4c6743e7
GlobalModelTransformInfo
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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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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 |
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Alexander Rose
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2142290300
add prd_id as entity property, treat prd as ligand
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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5007f5fb72
added VolumeData.sourceData: ModelFormat
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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b878273d81
some basic bird molecule support
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%!s(int64=5) %!d(string=hai) anos |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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36951d6f19
make AtomSiteAnisotrop less dependent on mmCIF
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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293b464d9f
moved cross-link-restraint to props
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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1293848d9b
refactored ModelFormat
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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2c55165c84
use relative paths for module imports
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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916ef886f5
renamed model-parses to model-formats
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%!s(int64=6) %!d(string=hai) anos |
