 Sebastian Bittrich
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87390afbd9
resolves conflict with master
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6 anos atrás |
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Sebastian Bittrich
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3b00d25c96
more memory-efficient way to store atom radii
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6 anos atrás |
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Sebastian Bittrich
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81732b1e56
testPoint is now defined outside of loop
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6 anos atrás |
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Sebastian Bittrich
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4d94a6688a
improved handling of modified residues
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6 anos atrás |
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Sebastian Bittrich
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5b8471bcbd
lookup3d at structure level, color provider
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6 anos atrás |
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Sebastian Bittrich
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c2af2cdb03
removes random OS file from project
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6 anos atrás |
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Sebastian Bittrich
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05a4321d33
unbiased VDW radius assignment for non-polymer atoms
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6 anos atrás |
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Sebastian Bittrich
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fb60cb589d
stub to consider non-polymer groups for computation
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6 anos atrás |
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Sebastian Bittrich
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91fff322ac
support for nucleotides
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6 anos atrás |
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Sebastian Bittrich
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472ee474ed
respect for BioJava
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6 anos atrás |
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Sebastian Bittrich
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94155295a1
actually initializes arrays, a strict requirement to get results
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6 anos atrás |
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Sebastian Bittrich
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5cc1d65032
adds stub for buried state flag
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6 anos atrás |
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Sebastian Bittrich
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380fd092f9
establishes PD handling of parameters
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6 anos atrás |
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Sebastian Bittrich
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0c3d4b4ce1
removes safety net to avoid dying for 3j3q
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6 anos atrás |
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Sebastian Bittrich
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cf993ab0cd
better add files to commit
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6 anos atrás |
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Sebastian Bittrich
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e02fefa6b4
4x speedup by limiting # of sphere points to original value
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6 anos atrás |
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Sebastian Bittrich
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696b188b91
wrong assignment of values resolved
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6 anos atrás |
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Sebastian Bittrich
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623009b29c
ASA calc now uses lookup3d and ties results to atoms and residues
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6 anos atrás |
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Sebastian Bittrich
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e403c371e9
cleanup
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6 anos atrás |
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Sebastian Bittrich
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a040cde904
allows for ASA visualization by really dirty means
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6 anos atrás |
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Sebastian Bittrich
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e5b6ac3996
normalization of ASA values
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6 anos atrás |
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Sebastian Bittrich
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0bd7bdfe9f
summing up ASA values for residues
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6 anos atrás |
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Sebastian Bittrich
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e8e79ab06c
calculation of atom ASA
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6 anos atrás |
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Sebastian Bittrich
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e94d3a6929
employs switch-case for radii determination
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6 anos atrás |
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Sebastian Bittrich
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8d2ba31a0b
computation of atom radii
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6 anos atrás |
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Sebastian Bittrich
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d48efc696a
color provider for accessible surface area
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6 anos atrás |
|
Alexander Rose
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2325ac9ad4
fixed wrong PNA backboneEnd atom name
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6 anos atrás |
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Alexander Rose
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5152e27de0
fix DirectVolumeVisual VolumeVisual creation
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6 anos atrás |
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Alexander Rose
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e7defe5258
fixed isoValue equality checking
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6 anos atrás |
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Alexander Rose
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0097886292
Merge branch 'gl-geo'
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6 anos atrás |
