 Alexander Rose
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df27c59552
use schema created from dic to read mmcif data
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пре 7 година |
|
Alexander Rose
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b90480cb2b
sync/await for file reading
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пре 7 година |
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Alexander Rose
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858e664040
get enumeration values for ucode type fields from mmcif dic
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пре 7 година |
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Alexander Rose
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a7119590da
get types for all fields in mmcif dic
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пре 7 година |
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Alexander Rose
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29787be05d
added script to download cif dics
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пре 7 година |
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Alexander Rose
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2add09eb50
wip, creating schema from dic
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пре 7 година |
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David Sehnal
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bdba5847fd
Array based column
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пре 7 година |
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David Sehnal
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db3b6aa38f
typedArrayWindow fix
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пре 7 година |
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David Sehnal
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982b18bdc3
Binary column windows, make all column functions closures
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пре 7 година |
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David Sehnal
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16e66b8318
Added mol2 schema
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пре 7 година |
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David Sehnal
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ff97d71b38
mmCIF schema type
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пре 7 година |
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Alexander Rose
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6d842b96a9
first attempt at cif dictionary parsing
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пре 7 година |
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David Sehnal
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f03e0b6736
simplified computation API
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пре 7 година |
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David Sehnal
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5adc085d68
Tweaks
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пре 7 година |
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David Sehnal
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85d5e9b9b3
Computation API cleanup
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пре 7 година |
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David Sehnal
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99e829a17a
Cleaned up computation API
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пре 7 година |
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David Sehnal
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9951dce684
fixed readLinesAsync
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пре 7 година |
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David Sehnal
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d46610f47e
Immediate scheduler
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пре 7 година |
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Alexander Rose
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261e96068a
Gro parser using computation
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пре 7 година |
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Alexander Rose
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bb1d8f2f2b
updated deps, removed windows folder separators
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пре 7 година |
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David Sehnal
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f749c3619f
CIF parser using computation
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пре 7 година |
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David Sehnal
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2693d26dae
Added computation "model"
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пре 7 година |
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David Sehnal
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e987d73d2b
BinaryCIF support
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пре 7 година |
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David Sehnal
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8b1552d344
Added stringEquals to column
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пре 7 година |
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David Sehnal
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25559611c6
Fixed cif test
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пре 7 година |
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David Sehnal
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6979ae8254
mmCIF schema
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пре 7 година |
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David Sehnal
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c5b1b84eb2
Data model improvements
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пре 7 година |
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David Sehnal
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c236b5d015
Started CIF parser
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пре 7 година |
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David Sehnal
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18891f5bae
Pooled string column
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пре 7 година |
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David Sehnal
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135635ac06
Changed data model, updated GRO parser to handle velocities, arbitrary precision, multiple models
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пре 7 година |
