 David Sehnal
|
c1d54facc6
moved Queries.props to StructureProperies, wip custom props
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6 gadi atpakaļ |
|
David Sehnal
|
31c3955f1c
Include CifFrame in Format.mmCif, fix makeBuckets
|
6 gadi atpakaļ |
|
David Sehnal
|
ac1e2b0d51
Query wholeResidues, includeSurroundings
|
7 gadi atpakaļ |
|
David Sehnal
|
dd475dc679
Refactored Task to use run/runAsChild calls on the object itself
|
7 gadi atpakaļ |
|
David Sehnal
|
3580533276
Wrap Model.create in Task
|
7 gadi atpakaļ |
|
David Sehnal
|
ba2a4f3a99
More refactoring of mol-model
|
7 gadi atpakaļ |
|
David Sehnal
|
059a09d63e
Added spacegroups to mol-model
|
7 gadi atpakaļ |
|
David Sehnal
|
138c943f6e
Structure data model tweaks
|
7 gadi atpakaļ |
|
David Sehnal
|
0427d52d97
Updated mol-geo to new Structure data model
|
7 gadi atpakaļ |
|
David Sehnal
|
f3616faefc
Refactoring Structure data model
|
7 gadi atpakaļ |
|
David Sehnal
|
e3a350deeb
Basic IHM support
|
7 gadi atpakaļ |
|
David Sehnal
|
3babfb55c3
Renamed Conformation to AtomSiteConformation
|
7 gadi atpakaļ |
|
David Sehnal
|
e5e116c6da
Updated ElementSet API
|
7 gadi atpakaļ |
|
David Sehnal
|
229043d93e
Merged mol-model branch
|
7 gadi atpakaļ |
|
David Sehnal
|
22190c178c
Renamed ElementGroup.id to key
|
7 gadi atpakaļ |
|
Alexander Rose
|
5d342a3040
Merge branch 'master' into gl-geo, changed Location.atom to .element
|
7 gadi atpakaļ |
|
David Sehnal
|
4f77ec1c8a
Wrap query in a task
|
7 gadi atpakaļ |
|
David Sehnal
|
606dde2366
Renamed Atom* to Element*
|
7 gadi atpakaļ |
|
David Sehnal
|
7d4b9d1537
Coarse grained units
|
7 gadi atpakaļ |
|
David Sehnal
|
a8070e4136
CIF parser now uses mol-task
|
7 gadi atpakaļ |
|
Alexander Rose
|
75cc576932
added on-demand file loading to structure perf-test
|
7 gadi atpakaļ |
|
David Sehnal
|
1d07b6a0dd
renamed mol-comp to mol-task
|
7 gadi atpakaļ |
|
David Sehnal
|
423f9c4753
Refactored Selection
|
7 gadi atpakaļ |
|
David Sehnal
|
9890d4807a
more accurate time management for Computation.Chunker
|
7 gadi atpakaļ |
|
David Sehnal
|
9a3b83d136
More atom set refactoring
|
7 gadi atpakaļ |
|
David Sehnal
|
277c83fbe4
Structure units is now just an array
|
7 gadi atpakaļ |
|
David Sehnal
|
1f07aee54f
Refactor Structure to use IntMap for units
|
7 gadi atpakaļ |
|
David Sehnal
|
60d02b1f6a
Refactoring AtomSet (part 2)
|
7 gadi atpakaļ |
|
David Sehnal
|
ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
|
7 gadi atpakaļ |
|
David Sehnal
|
d597f1e88c
Higher tolerance for "symmetry operators"
|
7 gadi atpakaļ |
