@datagrok/helm 2.8.1 → 2.8.3

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (9) hide show
  1. package/CHANGELOG.md +8 -0
  2. package/dist/package-test.js +1 -1
  3. package/dist/package-test.js.map +1 -1
  4. package/dist/package.js +1 -1
  5. package/dist/package.js.map +1 -1
  6. package/package.json +3 -3
  7. package/src/tests/get-monomer-tests.ts +32 -31
  8. package/src/tests/helm-activity-cliffs.ts +9 -6
  9. package/src/utils/helm-service.ts +15 -2
package/package.json CHANGED
@@ -1,7 +1,7 @@
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  {
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  "name": "@datagrok/helm",
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  "friendlyName": "Helm",
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- "version": "2.8.1",
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+ "version": "2.8.3",
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  "author": {
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  "name": "Maria Dolotova",
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  "email": "mdolotova@datagrok.ai"
@@ -29,7 +29,7 @@
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  "devDependencies": {
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  "@datagrok-libraries/helm-web-editor": "^1.1.13",
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  "@datagrok-libraries/js-draw-lite": "^0.0.10",
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- "@datagrok/bio": "^2.18.1",
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+ "@datagrok/bio": "^2.18.4",
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  "@datagrok/chem": "^1.13.0",
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  "@types/node": "17.0.45",
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  "@types/webpack-env": "^1.18.5",
@@ -69,7 +69,7 @@
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  "build-all": "npm --prefix ./../../libraries/chem-meta run build && npm --prefix ./../../js-api run build && npm --prefix ./../../libraries/utils run build && npm --prefix ./../../libraries/bio run build && npm run build"
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  },
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  "canEdit": [
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- "Developers"
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+ "Administrators"
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  ],
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  "canView": [
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  "All users"
package/src/tests/get-monomer-tests.ts CHANGED
@@ -34,39 +34,40 @@ type TestDataType = { args: { a: any, name?: string }, tgt: any };
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  const getResultDf = false;
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- const tests: { [testName: string]: TestDataType } = {
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+ const tests: { [testName: string]: TestDataType } =
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  /* eslint-disable */
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  //@formatter:off
40
- t0:{"args":{"a":"HELM_BASE","name":"A"},"tgt":{"id":"A","m":"HELM Core Monomer library\n Ketcher 10131612512D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 0.9632 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0970 -4.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0970 -5.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9630 -5.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8291 -5.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8293 -4.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8536 -5.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4413 -4.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8535 -3.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9632 -2.5448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1626 -6.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 10 1 0 0 0\n 1 6 2 0 0 0\n 1 2 1 0 0 0\n 9 2 1 0 0 0\n 2 3 2 0 0 0\n 7 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 7 11 1 0 0 0\n 8 9 2 0 0 0\nA 11\nR1\nM END\n","n":"Adenine","na":"A","rs":1,"at":{"R1":"H"}}},
41
- t1:{"args":{"a":"HELM_BASE","name":"C"},"tgt":{"id":"C","m":"HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 10.7683 -10.8385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -13.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1683 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1683 -10.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -10.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -8.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -14.5885 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0673 -13.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 1 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 2 0 0\n 6 7 1 0 0\n 3 8 1 0 0\n 2 9 2 0 0\nA 8\nR1\nM END\n","n":"Cytosine","na":"C","rs":1,"at":{"R1":"H"}}},
42
- t2:{"args":{"a":"HELM_BASE","name":"G"},"tgt":{"id":"G","m":"HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 12 13 0 0 0 0 0 0 0 0999 V2000\n 12.7698 -10.2854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7698 -11.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4733 -12.5380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1698 -11.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1698 -10.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4748 -9.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8623 -11.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7448 -9.8154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4748 -8.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0689 -12.5354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7448 -12.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2789 -13.6737 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 2 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 1 0 0\n 7 8 2 0 0\n 5 8 1 0 0\n 6 9 2 0 0\n 2 10 1 0 0\n 4 11 1 0 0\n 7 11 1 0 0\n 11 12 1 0 0\nA 12\nR1\nM END\n","n":"Guanine","na":"G","rs":1,"at":{"R1":"H"}}},
43
- t3:{"args":{"a":"HELM_LINKER","name":"p"},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
44
- t4:{"args":{"a":"HELM_SUGAR","name":"p"},"tgt":null},
45
- t5:{"args":{"a":"HELM_SUGAR","name":"r"},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
46
- t6:{"args":{"a":{"T":"ATOM","p":{"x":144,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":4}},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
47
- t7:{"args":{"a":{"T":"ATOM","p":{"x":144,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":4}},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
48
- t8:{"args":{"a":{"T":"ATOM","p":{"x":144,"y":48},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"G","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":5}},"tgt":{"id":"G","m":"HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 12 13 0 0 0 0 0 0 0 0999 V2000\n 12.7698 -10.2854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7698 -11.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4733 -12.5380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1698 -11.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1698 -10.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4748 -9.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8623 -11.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7448 -9.8154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4748 -8.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0689 -12.5354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7448 -12.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2789 -13.6737 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 2 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 1 0 0\n 7 8 2 0 0\n 5 8 1 0 0\n 6 9 2 0 0\n 2 10 1 0 0\n 4 11 1 0 0\n 7 11 1 0 0\n 11 12 1 0 0\nA 12\nR1\nM END\n","n":"Guanine","na":"G","rs":1,"at":{"R1":"H"}}},
49
- t9:{"args":{"a":{"T":"ATOM","p":{"x":192,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":6}},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
50
- t10:{"args":{"a":{"T":"ATOM","p":{"x":192,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":6}},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
51
- t11:{"args":{"a":{"T":"ATOM","p":{"x":205,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null,"annotation":"5'","annotationshowright":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"r"},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
52
- t12:{"args":{"a":{"T":"ATOM","p":{"x":205,"y":184},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":1,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"A","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"A"},"tgt":{"id":"A","m":"HELM Core Monomer library\n Ketcher 10131612512D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 0.9632 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0970 -4.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0970 -5.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9630 -5.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8291 -5.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8293 -4.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8536 -5.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4413 -4.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8535 -3.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9632 -2.5448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1626 -6.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 10 1 0 0 0\n 1 6 2 0 0 0\n 1 2 1 0 0 0\n 9 2 1 0 0 0\n 2 3 2 0 0 0\n 7 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 7 11 1 0 0 0\n 8 9 2 0 0 0\nA 11\nR1\nM END\n","n":"Adenine","na":"A","rs":1,"at":{"R1":"H"}}},
53
- t13:{"args":{"a":{"T":"ATOM","p":{"x":240,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":7}},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
54
- t14:{"args":{"a":{"T":"ATOM","p":{"x":240,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":7}},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
55
- t15:{"args":{"a":{"T":"ATOM","p":{"x":240,"y":48},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"C","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":8}},"tgt":{"id":"C","m":"HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 10.7683 -10.8385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -13.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1683 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1683 -10.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -10.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -8.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -14.5885 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0673 -13.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 1 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 2 0 0\n 6 7 1 0 0\n 3 8 1 0 0\n 2 9 2 0 0\nA 8\nR1\nM END\n","n":"Cytosine","na":"C","rs":1,"at":{"R1":"H"}}},
56
- t16:{"args":{"a":{"T":"ATOM","p":{"x":253,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":3,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"p"},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
57
- t17:{"args":{"a":{"T":"ATOM","p":{"x":288,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":9}},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
58
- t18:{"args":{"a":{"T":"ATOM","p":{"x":301,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null,"annotation":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"r"},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
59
- t19:{"args":{"a":{"T":"ATOM","p":{"x":301,"y":184},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":2,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"G","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"G"},"tgt":{"id":"G","m":"HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 12 13 0 0 0 0 0 0 0 0999 V2000\n 12.7698 -10.2854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7698 -11.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4733 -12.5380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1698 -11.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1698 -10.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4748 -9.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8623 -11.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7448 -9.8154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4748 -8.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0689 -12.5354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7448 -12.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2789 -13.6737 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 2 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 1 0 0\n 7 8 2 0 0\n 5 8 1 0 0\n 6 9 2 0 0\n 2 10 1 0 0\n 4 11 1 0 0\n 7 11 1 0 0\n 11 12 1 0 0\nA 12\nR1\nM END\n","n":"Guanine","na":"G","rs":1,"at":{"R1":"H"}}},
60
- t20:{"args":{"a":{"T":"ATOM","p":{"x":349,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":6,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"p"},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
61
- t21:{"args":{"a":{"T":"ATOM","p":{"x":397,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null,"annotation":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"r"},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
62
- t22:{"args":{"a":{"T":"ATOM","p":{"x":397,"y":184},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":3,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"C","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"C"},"tgt":{"id":"C","m":"HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 10.7683 -10.8385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -13.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1683 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1683 -10.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -10.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -8.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4733 -14.5885 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0673 -13.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 1 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 2 0 0\n 6 7 1 0 0\n 3 8 1 0 0\n 2 9 2 0 0\nA 8\nR1\nM END\n","n":"Cytosine","na":"C","rs":1,"at":{"R1":"H"}}},
63
- t23:{"args":{"a":{"T":"ATOM","p":{"x":445,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":9,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"p"},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
64
- t24:{"args":{"a":{"T":"ATOM","p":{"x":48,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1}},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
65
- t25:{"args":{"a":{"T":"ATOM","p":{"x":48,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":1}},"tgt":{"id":"r","m":"HELM Core Monomer library\n Ketcher 10111608242D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n -31.2431 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.9523 11.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.9523 11.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.6254 12.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -30.4231 13.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -32.1882 13.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5552 11.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -31.5220 10.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -29.3803 11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -28.6686 13.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -32.3775 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -33.2435 14.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 1 0 0\n 2 7 1 6 0 0\n 7 8 1 0 0 0\n 3 9 1 6 0 0\n 4 10 1 1 0 0\n 6 11 1 0 0 0\n 11 12 1 0 0 0\nA 8\nR2\nA 10\nR3\nA 12\nR1\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
66
- t26:{"args":{"a":{"T":"ATOM","p":{"x":48,"y":48},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"A","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2}},"tgt":{"id":"A","m":"HELM Core Monomer library\n Ketcher 10131612512D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 0.9632 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0970 -4.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0970 -5.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9630 -5.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8291 -5.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8293 -4.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8536 -5.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4413 -4.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8535 -3.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9632 -2.5448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1626 -6.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 10 1 0 0 0\n 1 6 2 0 0 0\n 1 2 1 0 0 0\n 9 2 1 0 0 0\n 2 3 2 0 0 0\n 7 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 7 11 1 0 0 0\n 8 9 2 0 0 0\nA 11\nR1\nM END\n","n":"Adenine","na":"A","rs":1,"at":{"R1":"H"}}},
67
- t27:{"args":{"a":{"T":"ATOM","p":{"x":96,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":3}},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
68
- t28:{"args":{"a":{"T":"ATOM","p":{"x":96,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":3}},"tgt":{"id":"p","m":"HELM Core Monomer library\n Ketcher 10061618102D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 15.7527 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7527 -13.0837 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6188 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2527 -13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7868 -12.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\nA 1\nR1\nA 3\nR2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
69
- //@formatter:off
40
+ {
41
+ t0:{"args":{"a":"HELM_BASE","name":"A"},"tgt":{"id":"A","m":"\n RDKit 2D\n\n 11 12 0 0 0 0 0 0 0 0999 V2000\n -3.1265 0.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8274 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8274 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5284 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7707 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7707 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5284 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2165 1.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2753 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8854 0.7731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3526 0.4612 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 2 0\n 5 6 1 0\n 6 7 2 0\n 7 8 1 0\n 8 9 2 0\n 9 10 1 0\n 10 11 1 0\n 7 2 1 0\n 10 6 1 0\nM RGP 1 11 1\nM END\n","n":"Adenine","na":"A","rs":1,"at":{"R1":"H"}}},
42
+ t1:{"args":{"a":"HELM_BASE","name":"C"},"tgt":{"id":"C","m":"\n RDKit 2D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 2.8868 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5877 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5877 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2887 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0104 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3094 -1.6667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0104 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3094 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2887 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 1 0\n 3 4 2 0\n 4 5 1 0\n 5 6 1 0\n 5 7 1 0\n 7 8 2 0\n 7 9 1 0\n 9 2 2 0\nM RGP 1 6 1\nM END\n","n":"Cytosine","na":"C","rs":1,"at":{"R1":"H"}}},
43
+ t2:{"args":{"a":"HELM_BASE","name":"G"},"tgt":{"id":"G","m":"\n RDKit 2D\n\n 12 13 0 0 0 0 0 0 0 0999 V2000\n 3.4022 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1032 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4949 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4949 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9215 1.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8032 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9215 -1.1185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3850 -2.5451 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1032 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 2 0\n 5 6 1 0\n 6 7 2 0\n 7 8 1 0\n 8 9 1 0\n 5 10 1 0\n 10 11 2 0\n 10 12 1 0\n 12 2 1 0\n 8 4 1 0\nM RGP 1 9 1\nM END\n","n":"Guanine","na":"G","rs":1,"at":{"R1":"H"}}},
44
+ t3:{"args":{"a":"HELM_LINKER","name":"p"},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
45
+ t4:{"args":{"a":"HELM_SUGAR","name":"p"},"tgt":null},
46
+ t5:{"args":{"a":"HELM_SUGAR","name":"r"},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
47
+ t6:{"args":{"a":{"T":"ATOM","p":{"x":144,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":4}},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
48
+ t7:{"args":{"a":{"T":"ATOM","p":{"x":144,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":4}},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
49
+ t8:{"args":{"a":{"T":"ATOM","p":{"x":144,"y":48},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"G","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":5}},"tgt":{"id":"G","m":"\n RDKit 2D\n\n 12 13 0 0 0 0 0 0 0 0999 V2000\n 3.4022 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1032 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4949 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4949 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9215 1.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8032 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9215 -1.1185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3850 -2.5451 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1032 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 2 0\n 5 6 1 0\n 6 7 2 0\n 7 8 1 0\n 8 9 1 0\n 5 10 1 0\n 10 11 2 0\n 10 12 1 0\n 12 2 1 0\n 8 4 1 0\nM RGP 1 9 1\nM END\n","n":"Guanine","na":"G","rs":1,"at":{"R1":"H"}}},
50
+ t9:{"args":{"a":{"T":"ATOM","p":{"x":192,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":6}},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
51
+ t10:{"args":{"a":{"T":"ATOM","p":{"x":192,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":6}},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
52
+ t11:{"args":{"a":{"T":"ATOM","p":{"x":205,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null,"annotation":"5'","annotationshowright":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"r"},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
53
+ t12:{"args":{"a":{"T":"ATOM","p":{"x":205,"y":184},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":1,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"A","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"A"},"tgt":{"id":"A","m":"\n RDKit 2D\n\n 11 12 0 0 0 0 0 0 0 0999 V2000\n -3.1265 0.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8274 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8274 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5284 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7707 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7707 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5284 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2165 1.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2753 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8854 0.7731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3526 0.4612 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 2 0\n 5 6 1 0\n 6 7 2 0\n 7 8 1 0\n 8 9 2 0\n 9 10 1 0\n 10 11 1 0\n 7 2 1 0\n 10 6 1 0\nM RGP 1 11 1\nM END\n","n":"Adenine","na":"A","rs":1,"at":{"R1":"H"}}},
54
+ t13:{"args":{"a":{"T":"ATOM","p":{"x":240,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":7}},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
55
+ t14:{"args":{"a":{"T":"ATOM","p":{"x":240,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":7}},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
56
+ t15:{"args":{"a":{"T":"ATOM","p":{"x":240,"y":48},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"C","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":8}},"tgt":{"id":"C","m":"\n RDKit 2D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 2.8868 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5877 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5877 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2887 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0104 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3094 -1.6667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0104 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3094 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2887 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 1 0\n 3 4 2 0\n 4 5 1 0\n 5 6 1 0\n 5 7 1 0\n 7 8 2 0\n 7 9 1 0\n 9 2 2 0\nM RGP 1 6 1\nM END\n","n":"Cytosine","na":"C","rs":1,"at":{"R1":"H"}}},
57
+ t16:{"args":{"a":{"T":"ATOM","p":{"x":253,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":3,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"p"},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
58
+ t17:{"args":{"a":{"T":"ATOM","p":{"x":288,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":9}},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
59
+ t18:{"args":{"a":{"T":"ATOM","p":{"x":301,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null,"annotation":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"r"},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
60
+ t19:{"args":{"a":{"T":"ATOM","p":{"x":301,"y":184},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":2,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"G","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"G"},"tgt":{"id":"G","m":"\n RDKit 2D\n\n 12 13 0 0 0 0 0 0 0 0999 V2000\n 3.4022 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1032 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4949 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4949 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9215 1.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8032 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9215 -1.1185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3850 -2.5451 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8041 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1032 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 2 0\n 5 6 1 0\n 6 7 2 0\n 7 8 1 0\n 8 9 1 0\n 5 10 1 0\n 10 11 2 0\n 10 12 1 0\n 12 2 1 0\n 8 4 1 0\nM RGP 1 9 1\nM END\n","n":"Guanine","na":"G","rs":1,"at":{"R1":"H"}}},
61
+ t20:{"args":{"a":{"T":"ATOM","p":{"x":349,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":6,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"p"},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
62
+ t21:{"args":{"a":{"T":"ATOM","p":{"x":397,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null,"annotation":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"r"},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
63
+ t22:{"args":{"a":{"T":"ATOM","p":{"x":397,"y":184},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":3,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"C","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"C"},"tgt":{"id":"C","m":"\n RDKit 2D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 2.8868 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5877 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5877 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2887 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0104 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3094 -1.6667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0104 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3094 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2887 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 1 0\n 3 4 2 0\n 4 5 1 0\n 5 6 1 0\n 5 7 1 0\n 7 8 2 0\n 7 9 1 0\n 9 2 2 0\nM RGP 1 6 1\nM END\n","n":"Cytosine","na":"C","rs":1,"at":{"R1":"H"}}},
64
+ t23:{"args":{"a":{"T":"ATOM","p":{"x":445,"y":136},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":0,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":9,"ringclosures":null,"_outside":false,"_haslabel":false},"name":"p"},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
65
+ t24:{"args":{"a":{"T":"ATOM","p":{"x":48,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":1}},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
66
+ t25:{"args":{"a":{"T":"ATOM","p":{"x":48,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_SUGAR","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"r","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":1}},"tgt":{"id":"r","m":"\n RDKit 2D\n\n 12 12 0 0 0 0 0 0 0 0999 V2000\n 3.0807 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0229 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4901 2.7025 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9410 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6910 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1910 -1.5485 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4406 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8672 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0807 -1.8812 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6\n 2 3 1 0\n 3 4 1 1\n 4 5 1 0\n 3 6 1 0\n 6 7 1 6\n 7 8 1 0\n 8 9 1 0\n 6 10 1 0\n 10 11 1 0\n 11 12 1 6\n 11 2 1 0\nM RGP 3 5 2 9 1 12 3\nM END\n","n":"Ribose","na":"r","rs":3,"at":{"R1":"H","R2":"H","R3":"OH"}}},
67
+ t26:{"args":{"a":{"T":"ATOM","p":{"x":48,"y":48},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_BASE","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"A","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":2}},"tgt":{"id":"A","m":"\n RDKit 2D\n\n 11 12 0 0 0 0 0 0 0 0999 V2000\n -3.1265 0.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8274 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8274 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5284 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7707 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7707 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5284 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2165 1.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2753 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8854 0.7731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3526 0.4612 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 2 0\n 5 6 1 0\n 6 7 2 0\n 7 8 1 0\n 8 9 2 0\n 9 10 1 0\n 10 11 1 0\n 7 2 1 0\n 10 6 1 0\nM RGP 1 11 1\nM END\n","n":"Adenine","na":"A","rs":1,"at":{"R1":"H"}}},
68
+ t27:{"args":{"a":{"T":"ATOM","p":{"x":96,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"_parent":"[object Object]","_aaid":3}},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}},
69
+ t28:{"args":{"a":{"T":"ATOM","p":{"x":96,"y":0},"charge":0,"isotope":null,"radical":null,"group":null,"alias":null,"superatom":null,"attachpoints":[],"rgroup":null,"bio":{"type":"HELM_LINKER","id":null,"ambiguity":null},"locked":false,"hidden":null,"_rect":null,"elem":"p","color":null,"hcount":null,"selected":false,"f":null,"bonds":null,"id":null,"atommapid":null,"query":null,"hasError":null,"hs":null,"val":null,"tag":null,"_parent":"[object Object]","_aaid":3}},"tgt":{"id":"p","m":"\n RDKit 2D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 1.2990 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 2 4 1 0\n 2 5 1 0\nM RGP 2 4 1 5 2\nM END\n","n":"Phosphate","na":"p","rs":2,"at":{"R1":"OH","R2":"OH"}}}
70
+ //@formatter:off
70
71
  /* eslint-enable */
71
72
  };
72
73
 
package/src/tests/helm-activity-cliffs.ts CHANGED
@@ -1,7 +1,7 @@
1
1
  import * as grok from 'datagrok-api/grok';
2
2
  import * as DG from 'datagrok-api/dg';
3
3
 
4
- import {after, before, category, test} from '@datagrok-libraries/utils/src/test';
4
+ import {after, awaitCheck, before, category, test} from '@datagrok-libraries/utils/src/test';
5
5
 
6
6
  import {BitArrayMetricsNames} from '@datagrok-libraries/ml/src/typed-metrics';
7
7
  import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
@@ -69,9 +69,12 @@ async function _testActivityCliffsOpen(df: DG.DataFrame, drMethod: DimReductionM
69
69
  })) as DG.Viewer | undefined;
70
70
  expect(scatterPlot != null, true);
71
71
 
72
- const cliffsLink = Array.from(scatterPlot!.root.children).find((el) => {
73
- const classList: string[] = el.className.split(' ');
74
- return ['ui-btn', 'ui-btn-ok'].every((reqClassName) => classList.includes(reqClassName));
75
- });
76
- expect((cliffsLink as HTMLElement).innerText.toLowerCase(), `${tgtNumberCliffs} cliffs`);
72
+ const checkScatterPlotInitialized = () => {
73
+ const cliffsLink = scatterPlot!.root.getElementsByClassName('scatter_plot_link');
74
+ return cliffsLink.length > 0 &&
75
+ ((cliffsLink[0] as HTMLElement).innerText.toLowerCase() === `${tgtNumberCliffs} cliffs`);
76
+ };
77
+ await awaitCheck(() => {
78
+ return checkScatterPlotInitialized();
79
+ }, 'activity cliffs failed');
77
80
  }
package/src/utils/helm-service.ts CHANGED
@@ -29,7 +29,7 @@ export class HelmService extends HelmServiceBase {
29
29
 
30
30
  this.hostDiv = ui.box();
31
31
  // this.hostDiv.style.display = 'none'; // Disables drawing at all
32
- this.hostDiv.style.position = 'absolute';
32
+ this.hostDiv.style.position = 'fixed';
33
33
  this.hostDiv.style.left = '0px';
34
34
  this.hostDiv.style.right = '0px';
35
35
  this.hostDiv.style.width = '0px';
@@ -40,6 +40,18 @@ export class HelmService extends HelmServiceBase {
40
40
  this.editorLruCache = new LRUCache<string, HelmEditor>({max: 20});
41
41
  }
42
42
 
43
+ private getNewEditorHost() {
44
+ const hostDiv = ui.box();
45
+ hostDiv.style.position = 'absolute';
46
+ hostDiv.style.left = '0px';
47
+ hostDiv.style.right = '0px';
48
+ hostDiv.style.width = '0px';
49
+ hostDiv.style.height = '0px';
50
+ hostDiv.style.visibility = 'hidden';
51
+ this.hostDiv.appendChild(hostDiv);
52
+ return hostDiv;
53
+ }
54
+
43
55
  protected override toLog(): string {
44
56
  return `Helm: ${super.toLog()}`;
45
57
  }
@@ -50,7 +62,8 @@ export class HelmService extends HelmServiceBase {
50
62
  let resEditor: HelmEditor | undefined = this.editorLruCache.get(editorKey);
51
63
  if (!resEditor) {
52
64
  const getMonomerFuncs = _package.helmHelper.buildMonomersFuncsFromLib(props.monomerLib, );
53
- resEditor = new JSDraw2.Editor<HelmType, IHelmBio, IHelmEditorOptions>(this.hostDiv, {
65
+ const hostDiv = this.getNewEditorHost();
66
+ resEditor = new JSDraw2.Editor<HelmType, IHelmBio, IHelmEditorOptions>(hostDiv, {
54
67
  width: props.width, height: props.height, skin: 'w8', viewonly: true,
55
68
  drawOptions: {getMonomer: getMonomerFuncs.getMonomer},
56
69
  });