moorhen 0.0.1

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 (106) hide show
  1. package/baby-gru/CootWorker.js +1071 -0
  2. package/baby-gru/darkly.css +12 -0
  3. package/baby-gru/flatly.css +12 -0
  4. package/baby-gru/keyboard-blank.svg +3126 -0
  5. package/baby-gru/monomers/a/A.cif +271 -0
  6. package/baby-gru/monomers/a/ALA.cif +164 -0
  7. package/baby-gru/monomers/a/ARG.cif +252 -0
  8. package/baby-gru/monomers/a/ASN.cif +192 -0
  9. package/baby-gru/monomers/a/ASP.cif +178 -0
  10. package/baby-gru/monomers/c/C.cif +255 -0
  11. package/baby-gru/monomers/c/CIT.cif +167 -0
  12. package/baby-gru/monomers/c/CYS.cif +169 -0
  13. package/baby-gru/monomers/d/DA.cif +266 -0
  14. package/baby-gru/monomers/d/DC.cif +250 -0
  15. package/baby-gru/monomers/d/DG.cif +271 -0
  16. package/baby-gru/monomers/d/DT.cif +256 -0
  17. package/baby-gru/monomers/e/EDO.cif +108 -0
  18. package/baby-gru/monomers/g/G.cif +276 -0
  19. package/baby-gru/monomers/g/GLN.cif +208 -0
  20. package/baby-gru/monomers/g/GLU.cif +194 -0
  21. package/baby-gru/monomers/g/GLY.cif +138 -0
  22. package/baby-gru/monomers/g/GOL.cif +134 -0
  23. package/baby-gru/monomers/h/HIS.cif +215 -0
  24. package/baby-gru/monomers/h/HOH.cif +55 -0
  25. package/baby-gru/monomers/i/ILE.cif +213 -0
  26. package/baby-gru/monomers/l/LEU.cif +213 -0
  27. package/baby-gru/monomers/l/LYS.cif +228 -0
  28. package/baby-gru/monomers/m/MET.cif +201 -0
  29. package/baby-gru/monomers/m/MSE.cif +201 -0
  30. package/baby-gru/monomers/n/NA.cif +30 -0
  31. package/baby-gru/monomers/p/PHE.cif +233 -0
  32. package/baby-gru/monomers/p/PO4.cif +86 -0
  33. package/baby-gru/monomers/p/PRO.cif +188 -0
  34. package/baby-gru/monomers/s/SER.cif +169 -0
  35. package/baby-gru/monomers/s/SO4.cif +86 -0
  36. package/baby-gru/monomers/t/THR.cif +186 -0
  37. package/baby-gru/monomers/t/TRP.cif +263 -0
  38. package/baby-gru/monomers/t/TYR.cif +238 -0
  39. package/baby-gru/monomers/u/U.cif +248 -0
  40. package/baby-gru/monomers/v/VAL.cif +197 -0
  41. package/baby-gru/pixmaps/MoorhenLogo.png +0 -0
  42. package/baby-gru/pixmaps/add-alt-conf.svg +127 -0
  43. package/baby-gru/pixmaps/add-peptide-1.svg +257 -0
  44. package/baby-gru/pixmaps/atom-at-pointer.svg +91 -0
  45. package/baby-gru/pixmaps/auto-fit-rotamer.svg +118 -0
  46. package/baby-gru/pixmaps/cis-trans.svg +392 -0
  47. package/baby-gru/pixmaps/delete.svg +94 -0
  48. package/baby-gru/pixmaps/diff-map.png +0 -0
  49. package/baby-gru/pixmaps/drag.svg +253 -0
  50. package/baby-gru/pixmaps/edit-chi.svg +303 -0
  51. package/baby-gru/pixmaps/flip-peptide.svg +169 -0
  52. package/baby-gru/pixmaps/jed-flip-reverse.svg +286 -0
  53. package/baby-gru/pixmaps/map.svg +114 -0
  54. package/baby-gru/pixmaps/mutate.svg +111 -0
  55. package/baby-gru/pixmaps/rama-plot-gly-normal.png +0 -0
  56. package/baby-gru/pixmaps/rama-plot-gly-outlier.png +0 -0
  57. package/baby-gru/pixmaps/rama-plot-other-normal.png +0 -0
  58. package/baby-gru/pixmaps/rama-plot-other-outlier.png +0 -0
  59. package/baby-gru/pixmaps/rama-plot-pro-normal.png +0 -0
  60. package/baby-gru/pixmaps/rama-plot-pro-outlier.png +0 -0
  61. package/baby-gru/pixmaps/rama2_all.png +0 -0
  62. package/baby-gru/pixmaps/rama2_gly.png +0 -0
  63. package/baby-gru/pixmaps/rama2_ileval.png +0 -0
  64. package/baby-gru/pixmaps/rama2_non_gly_pro.png +0 -0
  65. package/baby-gru/pixmaps/rama2_non_gly_pro_pre_pro_ileval.png +0 -0
  66. package/baby-gru/pixmaps/rama2_pre_pro.png +0 -0
  67. package/baby-gru/pixmaps/rama2_pro.png +0 -0
  68. package/baby-gru/pixmaps/refine-1.svg +140 -0
  69. package/baby-gru/pixmaps/rigid-body.svg +124 -0
  70. package/baby-gru/pixmaps/rotamers.svg +78 -0
  71. package/baby-gru/pixmaps/rtz.svg +281 -0
  72. package/baby-gru/pixmaps/side-chain-180.svg +129 -0
  73. package/baby-gru/pixmaps/spin-view.svg +104 -0
  74. package/baby-gru/pixmaps/temperature.svg +92 -0
  75. package/baby-gru/tutorials/NUT.cif +453 -0
  76. package/baby-gru/tutorials/legend.html +3 -0
  77. package/baby-gru/tutorials/moorhen-tutorial-map-number-1.mtz +0 -0
  78. package/baby-gru/tutorials/moorhen-tutorial-map-number-2.mtz +0 -0
  79. package/baby-gru/tutorials/moorhen-tutorial-map-number-3.mtz +0 -0
  80. package/baby-gru/tutorials/moorhen-tutorial-map-number-4.mtz +0 -0
  81. package/baby-gru/tutorials/moorhen-tutorial-structure-number-1.pdb +2211 -0
  82. package/baby-gru/tutorials/moorhen-tutorial-structure-number-2.pdb +2018 -0
  83. package/baby-gru/tutorials/moorhen-tutorial-structure-number-3.pdb +1090 -0
  84. package/baby-gru/tutorials/moorhen-tutorial-structure-number-4.pdb +2801 -0
  85. package/baby-gru/wasm/RDKit_minimal.js +21 -0
  86. package/baby-gru/wasm/RDKit_minimal.wasm +0 -0
  87. package/baby-gru/wasm/cif_pdb_worker.js +33 -0
  88. package/baby-gru/wasm/coot_env_web.js +5 -0
  89. package/baby-gru/wasm/crystallography_worker.js +610 -0
  90. package/baby-gru/wasm/mini_rsr_worker.js +72 -0
  91. package/baby-gru/wasm/monid_to_pdb_worker.js +253 -0
  92. package/baby-gru/wasm/moorhen.data +246292 -0
  93. package/baby-gru/wasm/moorhen.js +21 -0
  94. package/baby-gru/wasm/moorhen.wasm +0 -0
  95. package/baby-gru/wasm/moorhen.worker.js +1 -0
  96. package/baby-gru/wasm/mtz_arraybuffer_worker.js +59 -0
  97. package/baby-gru/wasm/mtz_worker.js +45 -0
  98. package/baby-gru/wasm/nma_worker.js +103 -0
  99. package/baby-gru/wasm/papaparse.min.js +7 -0
  100. package/baby-gru/wasm/pdb_worker.js +282 -0
  101. package/baby-gru/wasm/smiles_to_pdb_worker.js +252 -0
  102. package/baby-gru/wasm/superpose_worker.js +144 -0
  103. package/baby-gru/wasm/web_example.js +21 -0
  104. package/baby-gru/wasm/web_example.wasm +0 -0
  105. package/moorhen.css +418 -0
  106. package/package.json +176 -0
package/package.json ADDED
@@ -0,0 +1,176 @@
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+ {
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+ "name": "moorhen",
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+ "version": "0.0.1",
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+ "private": false,
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+ "main": "moorhen.js",
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+ "author": "Paul Emsley, Filomeno Sanchez Rodriguez, Martin Noble, Stuart McNicholas",
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+ "description": "Moorhen molecular graphics",
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+ "repository": {
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+ "type": "git",
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+ "url": "git+https://github.com/stuartjamesmcnicholas/Moorhen.git"
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+ },
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+ "bugs": {
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+ "url": "https://github.com/stuartjamesmcnicholas/Moorhen/issues"
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+ },
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+ "homepage": "https://github.com/stuartjamesmcnicholas/Moorhen#readme",
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+ "types": "src/types/index.d.ts",
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+ "keywords": [
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+ "molecular graphics",
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+ "moorhen",
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+ "webcoot",
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+ "ccp4",
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+ "interactive model building"
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+ ],
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+ "config": {
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+ "forge": {
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+ "packagerConfig": {
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+ "ignore": [
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+ "^/public/baby-gru$",
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+ "^/public/favicon.ico$",
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+ "^/public/index.html",
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+ "^/public/logo192.png",
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+ "^/public/manifest.json",
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+ "^/Dockerfile",
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+ "^/README.md",
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+ "^/SimpleCrossOriginServer.py",
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+ "^/cloud",
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+ "^/docker-compose.yml",
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+ "^/forge.config.js",
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+ "^/nginx",
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+ "^/nodemon.json",
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+ "^/out",
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+ "^/src$"
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+ ],
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+ "icon": "src/icons/icon",
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+ "name": "Moorhen"
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+ },
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+ "makers": [
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+ {
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+ "name": "@electron-forge/maker-squirrel",
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+ "config": {
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+ "name": "Moorhen"
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+ }
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+ },
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+ {
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+ "name": "@electron-forge/maker-zip",
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+ "platforms": [
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+ "darwin",
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+ "linux"
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+ ]
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+ }
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+ ]
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+ }
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+ },
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+ "dependencies": {},
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+ "scripts": {
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+ "start": "react-scripts start",
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+ "start-tsc": "npx nodemon --trace-warnings",
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+ "build": "react-scripts build",
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+ "build-npm-registry": "webpack --mode development --devtool inline-source-map --env destination='npmRegistry'",
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+ "build-cloud-dev": "webpack --mode development --devtool inline-source-map --env destination='ccp4Cloud'",
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+ "build-cloud": "webpack --mode production --env destination='ccp4Cloud'",
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+ "test": "react-scripts test",
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+ "eject": "react-scripts eject",
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+ "dev": "concurrently -k \"BROWSER=none npm start\" \"npm:electron\"",
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+ "electron": "wait-on tcp:3000 && electron-forge start",
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+ "package": "react-scripts build && electron-forge package",
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+ "make-mac": "react-scripts build && electron-forge make --platform darwin",
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+ "make-linux": "react-scripts build && electron-forge make --platform linux",
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+ "make-win32": "react-scripts build && electron-forge make --platform win32"
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+ },
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+ "eslintConfig": {
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+ "extends": [
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+ "react-app",
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+ "react-app/jest"
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+ ]
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+ },
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+ "browserslist": {
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+ "production": [
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+ ">0.2%",
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+ "not dead",
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+ "not op_mini all"
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+ ],
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+ "development": [
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+ "last 1 chrome version",
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+ "last 1 firefox version",
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+ "last 1 safari version"
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+ ]
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+ },
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+ "devDependencies": {
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+ "@emotion/styled": "^11.10.4",
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+ "@mui/icons-material": "^5.10.9",
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+ "@mui/material": "^5.10.10",
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+ "@emotion/react": "^11.10.4",
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+ "@testing-library/jest-dom": "^5.16.4",
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+ "@testing-library/user-event": "^13.5.0",
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+ "@testing-library/react": "^13.2.0",
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+ "@babel/preset-env": "^7.20.2",
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+ "@babel/preset-react": "^7.18.6",
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+ "@electron-forge/cli": "^6.0.5",
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+ "@electron-forge/maker-deb": "^6.0.5",
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+ "@electron-forge/maker-rpm": "^6.0.5",
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+ "@electron-forge/maker-squirrel": "^6.0.5",
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+ "@electron-forge/maker-zip": "^6.0.5",
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+ "@types/node": "^18.16.14",
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+ "@types/react": "^18.2.6",
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+ "babel-preset-react-app": "^3.1.2",
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+ "babel-core": "^6.26.3",
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+ "babel-loader": "^9.1.0",
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+ "babel-preset-env": "^1.7.0",
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+ "concurrently": "^7.6.0",
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+ "copy-webpack-plugin": "^11.0.0",
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+ "css-loader": "^6.7.2",
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+ "electron": "^23.1.3",
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+ "electron-devtools-installer": "^3.2.0",
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+ "html-webpack-plugin": "^5.5.0",
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+ "nodemon": "^2.0.22",
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+ "style-loader": "^3.3.1",
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+ "ts-loader": "^9.4.3",
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+ "ts-node": "^10.9.1",
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+ "webpack": "^5.75.0",
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+ "webpack-cli": "^5.0.1",
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+ "webpack-dev-server": "^4.11.1",
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+ "webpack-node-externals": "^3.0.0",
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+ "worker-loader": "^3.0.8",
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+ "html-react-parser": "^1.4.14",
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+ "babel-cli": "^6.26.0",
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+ "bootstrap": "^5.1.3",
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+ "chart.js": "^3.7.1",
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+ "chartjs-plugin-annotation": "^2.1.2",
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+ "d3": "^5.15.0",
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+ "electron-is-dev": "^2.0.0",
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+ "electron-squirrel-startup": "^1.0.0",
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+ "express": "^4.18.2",
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+ "gl-matrix": "^3.4.3",
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+ "localforage": "^1.10.0",
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+ "nested-worker": "git+https://github.com/johanholmerin/nested-worker.git#semver:^1.0.0",
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+ "nightingale-linegraph-track": "^3.8.10",
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+ "pako": "^2.0.4",
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+ "pca-js": "^1.0.2",
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+ "plotly.js": "^2.12.1",
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+ "prismjs": "^1.29.0",
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+ "prop-types": "^15.8.1",
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+ "protvista-manager": "^3.4.0",
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+ "protvista-navigation": "^3.5.1",
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+ "protvista-sequence": "^3.5.1",
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+ "protvista-track": "^3.4.0",
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+ "rc-tree": "4.2.2",
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+ "styled-components": "^5.3.9",
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+ "typescript": "^4.0.0",
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+ "util": "^0.12.5",
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+ "uuid": "^9.0.0",
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+ "wait-on": "^7.0.1",
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+ "web-vitals": "^2.1.4",
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+ "react": "^18.1.0",
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+ "react-dom": "^18.1.0",
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+ "react-bootstrap": "^2.3.1",
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+ "react-bootstrap-typeahead": "^6.0.0-alpha.11",
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+ "react-chartjs-2": "^4.1.0",
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+ "react-color": "^2.19.3",
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+ "react-draggable": "^4.4.5",
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+ "react-plotly.js": "^2.5.1",
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+ "react-scripts": "5.0.1",
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+ "react-simple-code-editor": "^0.13.1",
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+ "reactcss": "^1.2.3"
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+ }
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+ }