 Alexander Rose
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a68a188600
added bird related fields to mmcif schema
|
il y a 7 ans |
|
Alexander Rose
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c6bbc0a8cb
use indexable with length prop for Column.copyToArray
|
il y a 7 ans |
|
Alexander Rose
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e706e8a9b6
reverted "export schema database as type instead of interface"
|
il y a 7 ans |
|
Alexander Rose
|
ecfc378174
wip, combine-mmcif script that adds ccd, pvcd, bird data to an entry
|
il y a 7 ans |
|
Alexander Rose
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5a87496728
added Column.copyToArray and Table.concat helpers
|
il y a 7 ans |
|
Alexander Rose
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d1bbe015ad
added some mol-io helper methods
|
il y a 7 ans |
|
Alexander Rose
|
2446334b41
export schema database as type instead of interface
|
il y a 7 ans |
|
Alexander Rose
|
ac614ebd32
updated mmcif: reordered, added chem_comp, entry, struct, struct_keywords
|
il y a 7 ans |
|
Alexander Rose
|
ab404049a4
doc
|
il y a 7 ans |
|
Alexander Rose
|
e9b57bb89b
improved schema generation from mmcif dic
|
il y a 7 ans |
|
Alexander Rose
|
75e1dac484
mmcif, ccd & bird schema updates
|
il y a 7 ans |
|
Alexander Rose
|
151ef5d806
vscode
|
il y a 7 ans |
|
Alexander Rose
|
00d1e1c555
improving & testing list column type
|
il y a 7 ans |
|
Alexander Rose
|
3add0d0636
add tensor handling to cif encoder
|
il y a 7 ans |
|
Alexander Rose
|
13e63cedf4
added 'list' column type
|
il y a 7 ans |
|
Alexander Rose
|
c73f68023f
added CCD schema
|
il y a 7 ans |
|
Alexander Rose
|
4c74909619
add gro format import support to mol-model
|
il y a 7 ans |
|
Alexander Rose
|
9184dfafbc
typo
|
il y a 7 ans |
|
Alexander Rose
|
c9eba240bb
use const
|
il y a 7 ans |
|
Alexander Rose
|
75cc576932
added on-demand file loading to structure perf-test
|
il y a 7 ans |
|
Alexander Rose
|
9f2cb62cb6
removed unused file
|
il y a 7 ans |
|
Alexander Rose
|
a8f665916d
force int type for some mmcif fields
|
il y a 7 ans |
|
Alexander Rose
|
c36c3f0d13
added code generated mmcif schema based on popular fields
|
il y a 7 ans |
|
Alexander Rose
|
6629c0b512
improved schema generation and moved to apps folder
|
il y a 7 ans |
|
Alexander Rose
|
66f6c54c43
updated readme and packages
|
il y a 7 ans |
|
Alexander Rose
|
b64faed5d5
fixed mol2 parser
|
il y a 7 ans |
|
David Sehnal
|
b2c1012c98
Fixed Table.columnToArray
|
il y a 7 ans |
|
Alexander Rose
|
923404c20e
wip, fixing mol2 parser (multi model still broken)
|
il y a 7 ans |
|
Alexander Rose
|
86b1643af0
fixed ts typecheck
|
il y a 7 ans |
|
Alexander Rose
|
0599057716
tweaked moduleNameMapper
|
il y a 7 ans |
