 David Sehnal
|
916ef886f5
renamed model-parses to model-formats
|
6 éve |
|
David Sehnal
|
7997dfccee
wip mol-model-parsers
|
6 éve |
|
David Sehnal
|
612910704c
wip mol-model-parsers
|
6 éve |
|
David Sehnal
|
abc545a997
wip mol-script, 1st compiled query
|
6 éve |
|
David Sehnal
|
a8a746142d
Refactoring UnitRings, carbs computation
|
6 éve |
|
David Sehnal
|
9633bf7071
Mod residues mmCIF export, segmentation data model fixes, other fixes
|
6 éve |
|
David Sehnal
|
8cce7a8a79
Element => ElementIndex, Element.Location => StructureElement
|
6 éve |
|
David Sehnal
|
1cb4913012
wip. renaming AtomicHierarchy elements
|
6 éve |
|
David Sehnal
|
72190cf91d
Renamed SecondaryStructure 'index' back to 'key'
|
6 éve |
|
David Sehnal
|
dc59cb88dc
wip, seconadry structure export, updated sec. struct data model
|
6 éve |
|
Alexander Rose
|
aedb03f668
comments, cleanup
|
6 éve |
|
David Sehnal
|
0a253bc409
multimodel IHM is now parsed into separate models
|
6 éve |
|
David Sehnal
|
87171e14e8
wip, refactoring mmCIF parsing for better IHM model support
|
6 éve |
|
Alexander Rose
|
1c0043b789
Merge branch 'master' into bond-repr
|
6 éve |
|
David Sehnal
|
25965d307a
chem_comp_bond as custom property
|
6 éve |
|
David Sehnal
|
c1d54facc6
moved Queries.props to StructureProperies, wip custom props
|
6 éve |
|
Alexander Rose
|
66dc6fbb60
wip, inter unit bonds
|
6 éve |
|
David Sehnal
|
f94007bef2
Parse and generate NCS operators
|
7 éve |
|
David Sehnal
|
31c3955f1c
Include CifFrame in Format.mmCif, fix makeBuckets
|
7 éve |
|
David Sehnal
|
dd6dcddaba
Update Structure construction from Model
|
7 éve |
|
David Sehnal
|
52a8a0e55b
Merge "single residue units" together in Structure.ofModel
|
7 éve |
|
David Sehnal
|
a81db69edc
Only keep modified residue name mapping
|
7 éve |
|
David Sehnal
|
0b9f31b45e
Mod res support
|
7 éve |
|
David Sehnal
|
565a5ed92e
Added InterUnitLinks and renamed "bonds" to "links"
|
7 éve |
|
David Sehnal
|
2a3f2e9969
Added UnitRings
|
7 éve |
|
David Sehnal
|
e3f49b61a1
Sequence as more 1st class citizen
|
7 éve |
|
David Sehnal
|
369ff8e54c
Added IntGraph and using it for IntraUnitBonds
|
7 éve |
|
David Sehnal
|
ac1e2b0d51
Query wholeResidues, includeSurroundings
|
7 éve |
|
David Sehnal
|
59f5f0caec
Parse sec struct from mmCIF
|
7 éve |
|
David Sehnal
|
dd475dc679
Refactored Task to use run/runAsChild calls on the object itself
|
7 éve |
