 Alexander Rose
|
6e6a0d96f7
mark package-lock as binary
|
7 yıl önce |
|
David Sehnal
|
184181c827
CIF parser fix
|
7 yıl önce |
|
arose
|
3c5f5d3a6b
wip, started mol-gl
|
7 yıl önce |
|
arose
|
501f5a2280
example of how to loop over bonds and create atom label
|
7 yıl önce |
|
Alexander Rose
|
1e92c78973
wip, adding bond and sec struct related code from molql
|
7 yıl önce |
|
Alexander Rose
|
f1a4053cb4
wip, combine-mmcif script
|
7 yıl önce |
|
Alexander Rose
|
75c686891d
added more useful mmcif fields
|
7 yıl önce |
|
Alexander Rose
|
fe85307716
added more helper methods
|
7 yıl önce |
|
Alexander Rose
|
a68a188600
added bird related fields to mmcif schema
|
7 yıl önce |
|
Alexander Rose
|
c6bbc0a8cb
use indexable with length prop for Column.copyToArray
|
7 yıl önce |
|
Alexander Rose
|
e706e8a9b6
reverted "export schema database as type instead of interface"
|
7 yıl önce |
|
Alexander Rose
|
ecfc378174
wip, combine-mmcif script that adds ccd, pvcd, bird data to an entry
|
7 yıl önce |
|
Alexander Rose
|
5a87496728
added Column.copyToArray and Table.concat helpers
|
7 yıl önce |
|
Alexander Rose
|
d1bbe015ad
added some mol-io helper methods
|
7 yıl önce |
|
Alexander Rose
|
2446334b41
export schema database as type instead of interface
|
7 yıl önce |
|
Alexander Rose
|
ac614ebd32
updated mmcif: reordered, added chem_comp, entry, struct, struct_keywords
|
7 yıl önce |
|
Alexander Rose
|
ab404049a4
doc
|
7 yıl önce |
|
Alexander Rose
|
e9b57bb89b
improved schema generation from mmcif dic
|
7 yıl önce |
|
Alexander Rose
|
75e1dac484
mmcif, ccd & bird schema updates
|
7 yıl önce |
|
Alexander Rose
|
151ef5d806
vscode
|
7 yıl önce |
|
Alexander Rose
|
00d1e1c555
improving & testing list column type
|
7 yıl önce |
|
Alexander Rose
|
3add0d0636
add tensor handling to cif encoder
|
7 yıl önce |
|
Alexander Rose
|
13e63cedf4
added 'list' column type
|
7 yıl önce |
|
Alexander Rose
|
c73f68023f
added CCD schema
|
7 yıl önce |
|
Alexander Rose
|
4c74909619
add gro format import support to mol-model
|
7 yıl önce |
|
Alexander Rose
|
9184dfafbc
typo
|
7 yıl önce |
|
Alexander Rose
|
c9eba240bb
use const
|
7 yıl önce |
|
Alexander Rose
|
75cc576932
added on-demand file loading to structure perf-test
|
7 yıl önce |
|
Alexander Rose
|
9f2cb62cb6
removed unused file
|
7 yıl önce |
|
Alexander Rose
|
a8f665916d
force int type for some mmcif fields
|
7 yıl önce |
