ccview/package.json at main · yamnor/ccview · GitHub

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{
  "name": "ccview",
  "displayName": "CCView - Comp Chem Viewer",
  "description": "Molecular visualization and analysis for VS Code. View computational chemistry output files in 3D, analyze molecular data with integrated terminal commands, and export results in multiple formats.",
  "version": "0.0.4",
  "engines": {
    "vscode": "^1.74.0"
  },
  "categories": [
    "Other",
    "Visualization"
  ],
  "keywords": [
    "science",
    "chemistry",
    "molecule",
    "protein",
    "coordinates",
    "xyz",
    "pdb"
  ],
  "publisher": "yamnor",
  "repository": {
    "type": "git",
    "url": "https://github.com/yamnor/ccview.git"
  },
  "homepage": "https://github.com/yamnor/ccview#readme",
  "bugs": {
    "url": "https://github.com/yamnor/ccview/issues"
  },
  "icon": "images/icon.png",
  "galleryBanner": {
    "color": "#000000",
    "theme": "dark"
  },
  "main": "./out/extension.js",
  "activationEvents": [
    "onCommand:ccview.openViewer",
    "onCommand:ccview.parseFile"
  ],
  "contributes": {
    "commands": [
      {
        "command": "ccview.openViewer",
        "title": "Open CCView",
        "category": "CCView"
      },
      {
        "command": "ccview.parseFile",
        "title": "Parse Comp Chem File",
        "category": "CCView"
      }
    ],
    "menus": {
      "explorer/context": [
        {
          "command": "ccview.openViewer",
          "group": "navigation",
          "when": "resourceExtname =~ /\\.(pdb|cif|xyz|g09|g16|orca|nwo|nw|psi4|gamess|gms|qchem|tmol|molpro|molcas|adf|mopac|xtb|dalton|log|out|txt|dat)$/i"
        }
      ]
    },
    "configuration": {
      "title": "CCView",
      "properties": {
        "ccview.directFormats": {
          "type": "array",
          "items": {
            "type": "string"
          },
          "default": [
            ".pdb",
            ".cif",
            ".xyz"
          ],
          "description": "Molecular structure file formats that can be loaded directly (PDB, CIF, XYZ coordinate files)"
        },
        "ccview.chemistryExtensions": {
          "type": "array",
          "items": {
            "type": "string"
          },
          "default": [
            ".g09",
            ".g16",
            ".orca",
            ".nwo",
            ".nw",
            ".psi4",
            ".gamess",
            ".gms",
            ".qchem",
            ".tmol",
            ".molpro",
            ".molcas",
            ".adf",
            ".mopac",
            ".xtb",
            ".dalton"
          ],
          "description": "Computational chemistry software output files (Gaussian, ORCA, NWChem, etc.)"
        },
        "ccview.customExtensions": {
          "type": "array",
          "items": {
            "type": "string"
          },
          "default": [
            ".log",
            ".out",
            ".txt",
            ".dat"
          ],
          "description": "Additional file extensions to treat as computational chemistry output files (content-based detection will be used)"
        },
        "ccview.autoDetectCustomExtensions": {
          "type": "boolean",
          "default": false,
          "description": "Automatically detect and notify when new computational chemistry files with custom extensions are created"
        },
        "ccview.showContextMenuForCustomExtensions": {
          "type": "boolean",
          "default": false,
          "description": "Show 'Open CCView' context menu for files with custom extensions (right-click in file explorer)"
        }
      }
    },
    "files.associations": {
      "*.pdb": "plaintext",
      "*.cif": "plaintext",
      "*.xyz": "plaintext",
      "*.g09": "plaintext",
      "*.g16": "plaintext",
      "*.orca": "plaintext",
      "*.nwo": "plaintext",
      "*.nw": "plaintext",
      "*.psi4": "plaintext",
      "*.gamess": "plaintext",
      "*.gms": "plaintext",
      "*.qchem": "plaintext",
      "*.tmol": "plaintext",
      "*.molpro": "plaintext",
      "*.molcas": "plaintext",
      "*.adf": "plaintext",
      "*.mopac": "plaintext",
      "*.xtb": "plaintext",
      "*.dalton": "plaintext",
      "*.log": "plaintext",
      "*.out": "plaintext",
      "*.txt": "plaintext",
      "*.dat": "plaintext"
    }
  },
  "scripts": {
    "vscode:prepublish": "npm run compile && npm run bundle",
    "compile": "tsc -p ./",
    "watch": "tsc -watch -p ./",
    "bundle": "webpack --config webpack.config.js",
    "pretest": "npm run compile && npm run lint",
    "lint": "eslint src --ext ts",
    "test": "node ./out/test/runTest.js"
  },
  "devDependencies": {
    "@types/node": "16.x",
    "@types/vscode": "^1.74.0",
    "@typescript-eslint/eslint-plugin": "^6.0.0",
    "@typescript-eslint/parser": "^6.0.0",
    "copy-webpack-plugin": "^13.0.0",
    "eslint": "^8.0.0",
    "typescript": "^5.0.0",
    "webpack": "^5.100.2",
    "webpack-cli": "^6.0.1"
  },
  "dependencies": {
    "lodash": "^4.17.21",
    "miew": "^0.11.0",
    "three": "^0.178.0"
  },
  "license": "MIT"
}