 Alexander Rose
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3a737099ad
add micro het todos and example pdb id
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5 vuotta sitten |
|
Alexander Rose
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d1f76fd48e
check all micro het comp ids for isNonStandard prop
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5 vuotta sitten |
|
Alexander Rose
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437d52e484
fix comp_id issues from making it a atom prop, #66
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5 vuotta sitten |
|
Alexander Rose
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abef75bfa2
fixed sequence label regression
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5 vuotta sitten |
|
Alexander Rose
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8137d4acdb
fix spelling of isNonStandardCrystalFrame
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5 vuotta sitten |
|
Alexander Rose
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899a186808
take micoheterogeneity into account in getUniqueResidueNames
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5 vuotta sitten |
|
Alexander Rose
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bb7d3e075c
change comp_id to be atom property to support micro heterogeneity
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5 vuotta sitten |
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David Sehnal
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78ba9df263
tweak
|
5 vuotta sitten |
|
David Sehnal
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9126416389
mol-plugin: structure repr preset updates
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5 vuotta sitten |
|
David Sehnal
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eef944b617
StructureFocusRepresentationParams fix
|
5 vuotta sitten |
|
Alexander Rose
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208cc2e48e
schema updates and cli path fixes
|
5 vuotta sitten |
|
David Sehnal
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1522bf4ae4
package.json cli fix
|
5 vuotta sitten |
|
David Sehnal
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422f4567f1
full commonjs build for servers and cli tools
|
5 vuotta sitten |
|
David Sehnal
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6c8ae32ff9
mol-plugin: do not update focus theme if not set
|
5 vuotta sitten |
|
David Sehnal
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e67c610b84
mol-plugin: fix Volume streaming when clearing state
|
5 vuotta sitten |
|
David Sehnal
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96aa003702
mol-plugin: focusTheme params for presets
|
5 vuotta sitten |
|
Alexander Rose
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94e21e8a3a
min resolution in repr quality
|
5 vuotta sitten |
|
Alexander Rose
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a937e3c57d
lipid query and component
|
5 vuotta sitten |
|
Alexander Rose
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9fe16e321e
add script to generate martini lipid names
|
5 vuotta sitten |
|
Alexander Rose
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697e9986b4
can't ignore atoms with zero occupancy
|
5 vuotta sitten |
|
Alexander Rose
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613cdc3145
fix building of cli tools
|
5 vuotta sitten |
|
David Sehnal
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a2bf489017
fix bond ordering when creating structure from Topology
|
5 vuotta sitten |
|
David Sehnal
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aca49b9ba5
PSF parser fix, correct topology/coordinates ordering (wip)
|
5 vuotta sitten |
|
David Sehnal
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11d5e301f3
xtc format support
|
5 vuotta sitten |
|
Alexander Rose
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2797b451fb
add interesting pdb entries info
|
5 vuotta sitten |
|
Alexander Rose
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e0b98f70f0
1.0.5
|
5 vuotta sitten |
|
Alexander Rose
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297b9bd3ff
update focus color in repr presets
|
5 vuotta sitten |
|
Alexander Rose
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013a59857d
updated packages
|
5 vuotta sitten |
|
David Sehnal
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0b14381255
mol-io: XTC parser
|
5 vuotta sitten |
|
Alexander Rose
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e1e0b0f2da
1.0.4
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5 vuotta sitten |
