@datagrok/bio 1.5.8 → 1.6.0

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Files changed (23) hide show
  1. package/detectors.js +24 -12
  2. package/dist/package-test.js +627 -500
  3. package/dist/package.js +385 -474
  4. package/files/samples/sample_FASTA.csv +0 -1
  5. package/files/samples/sample_FASTA.fasta +0 -3
  6. package/files/samples/testDemog.csv +5851 -0
  7. package/files/samples/testHelm.csv +6 -0
  8. package/files/samples/{id.csv → testId.csv} +0 -0
  9. package/files/samples/{sar-small.csv → testSmiles.csv} +0 -0
  10. package/files/samples/testSmiles2.csv +12248 -0
  11. package/package.json +2 -2
  12. package/src/package-test.ts +1 -0
  13. package/src/package.ts +86 -19
  14. package/src/tests/convert-test.ts +8 -8
  15. package/src/tests/detectors-test.ts +48 -6
  16. package/src/tests/renderer-test.ts +40 -18
  17. package/src/utils/cell-renderer.ts +24 -60
  18. package/src/utils/convert.ts +10 -14
  19. package/src/utils/multiple-sequence-alignment.ts +4 -2
  20. package/src/utils/notation-converter.ts +215 -55
  21. package/{test-Bio-34f75e5127b8-c4c5a3dc.html → test-Bio-34f75e5127b8-95c6fae9.html} +17 -20
  22. package/src/utils/chem-palette.ts +0 -280
  23. package/src/utils/misc.ts +0 -29
package/files/samples/testHelm.csv ADDED
@@ -0,0 +1,6 @@
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+ ID,Test type,HELM string,Valid?,Mol Weight,Mol Formula,SMILES
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+ RNA,Simple RNA ,RNA1{R(U)P.R(T)P.R(G)P.R(C)P.R(A)}$$$$,yes,1543.98,C48H61N17O34P4,[H]OCC1OC(N2C=CC(=O)NC2=O)C(O)C1OP(=O)(O)OCC3OC(N4C=C(C(=O)NC4=O)C)C(O)C3OP(=O)(O)OCC5OC(N6C=NC=7C(=O)NC(=NC76)N)C(O)C5OP(=O)(O)OCC8OC(N9C=CC(=NC9=O)N)C(O)C8OP(=O)(O)OCC%10OC(N%11C=NC=%12C(=NC=NC%12%11)N)C(O)C%10O[H]
3
+ Different arrangements of dots,Only dots beween the backbone monomers,RNA1{P.R(U)P.R(T)}$$$$,yes,644.37,C19H26N4O17P2,OP(O)(OC[C@H]1O[C@@H](N(C2=O)C=CC(N2)=O)[C@H](O)[C@@H]1OP(O)(OC[C@H]3O[C@@H](N(C4=O)C=C(C)C(N4)=O)[C@H](O)[C@@H]3O[H])=O)=O
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+ Different arrangements of dots,Dot after the branch,RNA1{P.R(U).P.R(T)}$$$$,yes,644.37,C19H26N4O17P2,OP(O)(OC[C@H]1O[C@@H](N(C2=O)C=CC(N2)=O)[C@H](O)[C@@H]1OP(O)(OC[C@H]3O[C@@H](N(C4=O)C=C(C)C(N4)=O)[C@H](O)[C@@H]3O[H])=O)=O
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+ Hydrogen bonding,RNA with hydrogen bonding,"RNA1{R(A)P.R(C)P.R(G)P}|RNA2{P.R(C)P.R(G)P.R(T)}$RNA1,RNA2,2:pair-9:pair|RNA1,RNA2,5:pair-6:pair|RNA1,RNA2,8:pair-3:pair$$$",yes,1986.2,C58H77N23O44P6,NA
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+ Hydrogen bonding,Shorter RNA with H bonding,"RNA1{R(U)P.R(T)P}|RNA2{P.R(A)P.R(A)}$RNA1,RNA2,2:pair-6:pair|RNA1,RNA2,5:pair-3:pair$$$",yes,1320.8,C39H52N14O30P4,NA
package/files/samples/{id.csv → testId.csv} RENAMED
File without changes
package/files/samples/{sar-small.csv → testSmiles.csv} RENAMED
File without changes