Commits · 501f5a228084c0408581d1a0b24c9378ab860d4e · Michal Malý / Molstar

Mar 22, 2018
- example of how to loop over bonds and create atom label · 501f5a22
  arose authored 7 years ago
  
  501f5a22
- wip, adding bond and sec struct related code from molql · 1e92c789
  Alexander Rose authored 7 years ago
  
  1e92c789
Mar 21, 2018
- wip, combine-mmcif script · f1a4053c
  Alexander Rose authored 7 years ago
  
  f1a4053c
- added more useful mmcif fields · 75c68689
  Alexander Rose authored 7 years ago
  
  75c68689
- added more helper methods · fe853077
  Alexander Rose authored 7 years ago
  
  fe853077
Mar 16, 2018
- added bird related fields to mmcif schema · a68a1886
  Alexander Rose authored 7 years ago
  
  a68a1886
- use indexable with length prop for Column.copyToArray · c6bbc0a8
  Alexander Rose authored 7 years ago
  
  c6bbc0a8
- reverted "export schema database as type instead of interface" · e706e8a9
  Alexander Rose authored 7 years ago
  
  e706e8a9
- wip, combine-mmcif script that adds ccd, pvcd, bird data to an entry · ecfc3781
  Alexander Rose authored 7 years ago
  
  ecfc3781
- added Column.copyToArray and Table.concat helpers · 5a874967
  Alexander Rose authored 7 years ago
  
  5a874967
Mar 15, 2018
- added some mol-io helper methods · d1bbe015
  Alexander Rose authored 7 years ago
  
  d1bbe015
- export schema database as type instead of interface · 2446334b
  Alexander Rose authored 7 years ago
  
  2446334b
- updated mmcif: reordered, added chem_comp, entry, struct, struct_keywords · ac614ebd
  Alexander Rose authored 7 years ago
  
  ac614ebd
Mar 14, 2018
- doc · ab404049
  Alexander Rose authored 7 years ago
  
  ab404049
- improved schema generation from mmcif dic · e9b57bb8
  Alexander Rose authored 7 years ago
  
  e9b57bb8
- mmcif, ccd & bird schema updates · 75e1dac4
  Alexander Rose authored 7 years ago
  
  75e1dac4
- vscode · 151ef5d8
  Alexander Rose authored 7 years ago
  
  151ef5d8
- improving & testing list column type · 00d1e1c5
  Alexander Rose authored 7 years ago
  
  00d1e1c5
Mar 13, 2018
- add tensor handling to cif encoder · 3add0d06
  Alexander Rose authored 7 years ago
  
  3add0d06
Mar 06, 2018
- added 'list' column type · 13e63ced
  Alexander Rose authored 7 years ago
  
  TODO handle in writer
  13e63ced
- added CCD schema · c73f6802
  Alexander Rose authored 7 years ago
  
  c73f6802
Mar 02, 2018
- add gro format import support to mol-model · 4c749096
  Alexander Rose authored 7 years ago
  
  4c749096
- typo · 9184dfaf
  Alexander Rose authored 7 years ago
  
  9184dfaf
- use const · c9eba240
  Alexander Rose authored 7 years ago
  
  c9eba240
- added on-demand file loading to structure perf-test · 75cc5769
  Alexander Rose authored 7 years ago
  
  75cc5769
- removed unused file · 9f2cb62c
  Alexander Rose authored 7 years ago
  
  9f2cb62c
Feb 27, 2018
- force int type for some mmcif fields · a8f66591
  Alexander Rose authored 7 years ago
  
  a8f66591
Feb 24, 2018
- added code generated mmcif schema based on popular fields · c36c3f0d
  Alexander Rose authored 7 years ago
  
  c36c3f0d
- improved schema generation and moved to apps folder · 6629c0b5
  Alexander Rose authored 7 years ago
  
  6629c0b5
- updated readme and packages · 66f6c54c
  Alexander Rose authored 7 years ago
  
  66f6c54c
Feb 23, 2018
- fixed mol2 parser · b64faed5
  Alexander Rose authored 7 years ago
  
  b64faed5
Feb 22, 2018
- Fixed Table.columnToArray · b2c1012c
  David Sehnal authored 7 years ago
  
  b2c1012c
- wip, fixing mol2 parser (multi model still broken) · 923404c2
  Alexander Rose authored 7 years ago
  
  923404c2
- fixed ts typecheck · 86b1643a
  Alexander Rose authored 7 years ago
  
  86b1643a
Feb 21, 2018
- tweaked moduleNameMapper · 05990577
  Alexander Rose authored 7 years ago
  
  05990577
- try moduleNameMapper for jest · 477f9b65
  Alexander Rose authored 7 years ago
  
  477f9b65
- tweaked paths in package.json · 81f6ec7b
  Alexander Rose authored 7 years ago
  
  81f6ec7b
- updated packages · 078c9cf2
  Alexander Rose authored 7 years ago
  
  078c9cf2
- added travis ci config · 6eef49d8
  Alexander Rose authored 7 years ago
  
  6eef49d8
- wip, fixing mol2 parser and tests · 0b95406c
  Alexander Rose authored 7 years ago
  
  0b95406c