 JonStargaryen
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17349b8529
sybyl atom types
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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3a200fe2d7
add label_seq_id when undefined- serial no, 1-based for each chain, see #72
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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10bd513680
refactored pdb format label_seq_id handling
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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9214c54e7d
add CifField.ofUndefined
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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64da492d63
fix non-standard residue check when filed not given
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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cbb65aaaac
fix missing data in bond table
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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78c9dda257
wip sybyl
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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20450e352f
wip sybyl
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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9559c22858
mol2 encoder reports bonds again
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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0d39dc69f1
use label asym-id for coloring coarse models (pdbdev), fixes #69
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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1a29159dfd
crystal-contacts preset, color theme tweaks
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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8c21d3b9d9
Merge branch 'master' of https://github.com/molstar/molstar
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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24143d7078
build docking-viewer as app
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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22ead527f2
expose chain-id color params to element-symbol and illustrative
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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104666a13e
reset focus repr color params
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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f9ea48fd7b
mol-model: atom_site.B_iso_or_equiv added to mmCIF exporter
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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80598dc102
typo
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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fbaaa57ca2
sybyl criteria
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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b0113d6189
mol2: charges, fix to actually use label_atom_id
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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da1fa03a5f
fix mol2 substructure line
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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48d0418f0e
mol writing with inline charges and chiral flag
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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cf0122ce23
add component atom
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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7216a25877
creation of charge and stereo config data
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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89eae0807e
docs fix
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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bfc52fbc6b
1.1.3
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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94cd5d3395
support for recommended iso value volumes
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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30d34584bf
model-server: added optional assemblyName param to /residueInteraction
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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c81166d04b
1.1.2
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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3384a8630b
Merge pull request #71 from JonStargaryen/sdf
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%!s(int64=4) %!d(string=hai) anos |
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JonStargaryen
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e39c7c4e98
move encoders to mol-io
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%!s(int64=4) %!d(string=hai) anos |
