 David Sehnal
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92412f21ce
wip refactoring mol-state
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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5cf0b1c08c
wip mol-state refactoring
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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c2af2cdb03
removes random OS file from project
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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05a4321d33
unbiased VDW radius assignment for non-polymer atoms
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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fb60cb589d
stub to consider non-polymer groups for computation
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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91fff322ac
support for nucleotides
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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472ee474ed
respect for BioJava
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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94155295a1
actually initializes arrays, a strict requirement to get results
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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3937e8b070
makes params optional
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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5cc1d65032
adds stub for buried state flag
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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380fd092f9
establishes PD handling of parameters
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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a1ed3f71a8
PD now used to handle algorithm parameters
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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fb81579907
removes unused import
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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a1aee20d6d
introduces Float32Array, rolling assignment
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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bea4d12b47
stub for param integration
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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a2da764855
omits multiple entrypoints
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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09db0abadb
adds turns and bends as dedicated secondary structure elements
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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2bb40d91c2
indention and code order
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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a77d98150c
removes minCaDist criterion
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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635ed60b43
changes max hbond detection distance to 9 A
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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51f08be894
cleanup
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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f7238c9a32
better handling of render program changes
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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a2fc629533
cleanup
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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b0ab77ee7f
fix, render variant change needs to trigger and material change
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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cb1ab8b677
fix raw-loader imports
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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c10d9db311
moves dihedral calc to Vec3, decreases allocation inside function
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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0c3d4b4ce1
removes safety net to avoid dying for 3j3q
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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2e4cf1ec3d
package updates
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%!s(int64=6) %!d(string=hai) anos |
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Sebastian Bittrich
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cf993ab0cd
better add files to commit
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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ab03b84d99
removed ply-wrapper wip
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%!s(int64=6) %!d(string=hai) anos |
