 Alexander Rose
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a14236c483
smarter ply-shape repr update
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пре 6 година |
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MarcoSchaeferT
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f9a13782b7
Merge pull request #6 from molstar/ply-test
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пре 6 година |
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MarcoSchaeferT
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a03eedbd42
Merge branch 'ply-test' into ply-test
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пре 6 година |
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Alexander Rose
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c6bf1c67b8
ply, support for uniform coloring param
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пре 6 година |
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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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пре 6 година |
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Alexander Rose
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611ead8b61
ply, handle missing normals or colors
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пре 6 година |
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Alexander Rose
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8bab72ea84
support more ply type names
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пре 6 година |
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Alexander Rose
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8bdbe95075
ply provider params for use in plugin
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пре 6 година |
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Alexander Rose
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a4b1cdef16
better guess-element-symbol for pdb-to-cif
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пре 6 година |
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Sebastian Bittrich
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e403c371e9
cleanup
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пре 6 година |
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MarcoSchaeferT
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7918853205
Merge branch 'master' into ply-test
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пре 6 година |
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Alexander Rose
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418ad749f5
wip, ply-to-shape groupId mapping
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пре 6 година |
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Alexander Rose
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7e56e70477
use params from geo utils
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пре 6 година |
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MarcoSchaeferT
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5f0f64ae08
Merge pull request #3 from molstar/ply-test
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пре 6 година |
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Sebastian Bittrich
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a040cde904
allows for ASA visualization by really dirty means
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пре 6 година |
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Sebastian Bittrich
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e5b6ac3996
normalization of ASA values
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пре 6 година |
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Alexander Rose
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043e23a137
added shape.sourceData
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пре 6 година |
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Sebastian Bittrich
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0bd7bdfe9f
summing up ASA values for residues
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пре 6 година |
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Sebastian Bittrich
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e8e79ab06c
calculation of atom ASA
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пре 6 година |
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Alexander Rose
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f4d019ac1b
ply parser generalization
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пре 6 година |
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Sebastian Bittrich
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e94d3a6929
employs switch-case for radii determination
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пре 6 година |
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Sebastian Bittrich
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8d2ba31a0b
computation of atom radii
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пре 6 година |
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Sebastian Bittrich
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d48efc696a
color provider for accessible surface area
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пре 6 година |
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Sebastian Bittrich
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c8f240250d
omits slow omega angle calculations
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пре 6 година |
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Sebastian Bittrich
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8e31f70278
fixes to DSSP impl, detection of bends and sheets
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пре 6 година |
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MarcoSchaeferT
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b9cf09b57a
- prepared seq. diagram for getting aminoAcidNumber from Mol*
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пре 6 година |
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Alexander Rose
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c1408cfad2
gaussian density api tweaks
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пре 6 година |
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Alexander Rose
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75425e7b2c
added basic checks if gl program is compatible with schema
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пре 6 година |
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Alexander Rose
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610f3ba9cf
moved isProductionMode flag to util/debug
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пре 6 година |
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Alexander Rose
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20ad92a5bd
gaussian density tweaks
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пре 6 година |
