 JonStargaryen
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fb7dd66600
cleanup
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4 gadi atpakaļ |
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JonStargaryen
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e12dc2b089
tweak mapping
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4 gadi atpakaļ |
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JonStargaryen
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78242b18c3
hydrogen handling
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4 gadi atpakaļ |
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JonStargaryen
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9043e4c8e1
propagate atoms only if present
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4 gadi atpakaļ |
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JonStargaryen
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54b5e3a0cc
hydrogen option
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4 gadi atpakaļ |
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JonStargaryen
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b6719a2f57
always write error category
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4 gadi atpakaļ |
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JonStargaryen
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087d5fbb68
stub for sdf writing
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4 gadi atpakaļ |
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JonStargaryen
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4f60c91256
impl is-transmembrane symbol correctly
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4 gadi atpakaļ |
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JonStargaryen
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99415ef290
reintroduce custom prop
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4 gadi atpakaļ |
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JonStargaryen
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d446a2d047
fix serialmapping
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4 gadi atpakaļ |
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JonStargaryen
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b476f738bc
style of symbol description
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4 gadi atpakaļ |
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JonStargaryen
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4c0d1383b2
fix label_comp_id retrieval for color themes
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4 gadi atpakaļ |
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JonStargaryen
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6a924bf732
ui label
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4 gadi atpakaļ |
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JonStargaryen
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5e1f1220af
cleanup
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4 gadi atpakaļ |
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JonStargaryen
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d13ee0a2cc
ui integration
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4 gadi atpakaļ |
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JonStargaryen
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826127672a
move symbol
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4 gadi atpakaļ |
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JonStargaryen
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df8dd7278a
label_comp_id move
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4 gadi atpakaļ |
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JonStargaryen
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cbdc4a3e9d
drop DefaultQueryRuntimeTable, wip moving
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4 gadi atpakaļ |
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JonStargaryen
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75266ad257
merge
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4 gadi atpakaļ |
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JonStargaryen
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0e93374b2d
add to extensions
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4 gadi atpakaļ |
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JonStargaryen
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8e350617f2
wip sdf
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4 gadi atpakaļ |
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Alexander Rose
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f6acf0a60a
1.1.1
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4 gadi atpakaļ |
|
Alexander Rose
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7982f25a45
ignoreHydrogens option for StructureFocusRepresentation
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4 gadi atpakaļ |
|
Alexander Rose
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ddafa7aac1
added todo for gro parser regarding reusing static model parts
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4 gadi atpakaļ |
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Alexander Rose
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65946c3045
support for multi-model gro files
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4 gadi atpakaļ |
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Alexander Rose
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63d699d620
lower threshold for coarse boundary helper
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4 gadi atpakaļ |
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Alexander Rose
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e1170c0552
fix debug helper update missing
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4 gadi atpakaļ |
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Alexander Rose
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97612bf044
dcd nd coordinates fixes/tweaks
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4 gadi atpakaļ |
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Alexander Rose
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012ac33bd5
ignore water units for inter-unit bond calculation by default
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4 gadi atpakaļ |
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Alexander Rose
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272e208fd4
add ion & lipid as chem_comp type, charmm ion names
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4 gadi atpakaļ |
