diff --git a/doc.md b/doc.md index 2ef0765b3..f84fef50d 100644 --- a/doc.md +++ b/doc.md @@ -15,20 +15,21 @@ 3Dmol.js is an object-oriented, WebGL based JavaScript library for online molecular visualization - No Java required! -With 3Dmol.js, you can add beautifully rendered molecular visualizations to your web applications. Features include: +With 3Dmol.js, you can add beautifully rendered molecular visualizations to your web applications. -* support for pdb, sdf, mol2, xyz, and cube formats -* parallelized molecular surface computation -* sphere, stick, line, cross, cartoon, and surface styles -* atom property based selection and styling -* labels -* clickable interactivity with molecular data -* geometric shapes including spheres and arrows +Features include: + +- Support for pdb, sdf, mol2, xyz, and cube formats +- Parallelized molecular surface computation +- Sphere, stick, line, cross, cartoon, and surface styles +- Atom property based selection and styling +- Labels +- Clickable interactivity with molecular data +- Geometric shapes including spheres and arrows ## Getting Started -Molecular data can be shared and visualized without writing any HTML - using only a declarative URL specification and our hosted viewer (see {@tutorial url}). +Molecular data can be shared and visualized without writing any HTML using only a declarative URL specification and our hosted viewer (see {@tutorial url}). Viewers can be quickly embedded in any HTML document using just two lines of source code (see {@tutorial embeddable}). diff --git a/jsdoc.conf.json b/jsdoc.conf.json index a5396fa6a..c8f186ef4 100644 --- a/jsdoc.conf.json +++ b/jsdoc.conf.json @@ -2,13 +2,17 @@ "tags": { "allowUnknownTags": true }, - "plugins": ["plugins/markdown", - "../../node_modules/better-docs/typescript", - "../../node_modules/better-docs/category"], + "plugins": [ + "plugins/markdown", + "../../node_modules/better-docs/typescript", + "../../node_modules/better-docs/category" + ], + "recurseDepth": 10, "source": { "includePattern": "\\.(jsx|js|ts|tsx)$" }, "templates": { + "search": true, "cleverLinks": true, "monospaceLinks": false, "footer": "", @@ -16,30 +20,53 @@ "linenums" : true, "collapseSymbols" : false, "inverseNav" : true, - "highlightTutorialCode" : true, - "better-docs": { - "name": "3Dmol.js
", - "title": "3Dmol.js Documentation", - "css": "../tutorials/style.css", - "navLinks": [ - { - "label": "Github", - "href": "https://github.com/3dmol/3Dmol.js" - } - ] - } + "highlightTutorialCode" : true }, "markdown" : { - "parser" : "gfm", - "hardwrap" : true + "hardwrap": true, + "idInHeadings": true }, "opts":{ - "recurse": true, "encoding": "utf8", - "template": "./node_modules/better-docs", - "destination": "doc", - "tutorials": "tutorials", - "search": true - }, - "tutorials": "tutorials/" + "destination": "doc/", + "recurse": true, + "verbose": true, + "template": "./node_modules/clean-jsdoc-theme", + "copyright": "3Dmol.js © 2019-2023", + "theme_opts": { + "default_theme": "light", + "includeFilesListInHomepage": true, + "homepageTitle": "3Dmol.js", + "displayModuleHeader": true, + "footer":"3Dmol.js © 2019-2023 | University of Pittsburgh | License", + "title": "3Dmol.js", + "create_style": "article ul li { list-style: disc}", + "menu": [ + { + "title": " Documentation", + "link": "https://3dmol.org/doc/index.html" + }, + { + "title": "Tutorials", + "link": "tutorial-home.html" + }, + { + "title": "GitHub", + "link": "https://github.com/3dmol/3Dmol.js", + "target": "_blank" + } + ], + "meta": [ + { + "name": "Author", + "content": "David Koes & 3Dmoljs Contributors" + }, + { + "name": "Description", + "content": "A modern, object-oriented JavaScript library for visualizing molecular data" + } + ] + }, + "tutorials": "tutorials/" + } } diff --git a/package-lock.json b/package-lock.json index f4c83d1c1..115b19eea 100644 --- a/package-lock.json +++ b/package-lock.json @@ -10,6 +10,7 @@ "hasInstallScript": true, "license": "BSD-3-Clause", "dependencies": { + "clean-jsdoc-theme": "^4.2.9", "iobuffer": "^5.3.1", "netcdfjs": "^2.0.2", "pako": "^2.1.0", @@ -422,7 +423,6 @@ "version": "7.22.5", "resolved": "https://registry.npmjs.org/@babel/parser/-/parser-7.22.5.tgz", "integrity": "sha512-DFZMC9LJUG9PLOclRC32G63UXwzqS2koQC8dkx+PLdmt1xSePYpbT/NbsrJy8Q/muXz7o/h/d4A7Fuyixm559Q==", - 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"dev": true, "dependencies": { "lodash": "^4.17.21" } @@ -9825,6 +9969,29 @@ "node": ">=8" } }, + "node_modules/showdown": { + "version": "2.1.0", + "resolved": "https://registry.npmjs.org/showdown/-/showdown-2.1.0.tgz", + "integrity": "sha512-/6NVYu4U819R2pUIk79n67SYgJHWCce0a5xTP979WbNp0FL9MN1I1QK662IDU1b6JzKTvmhgI7T7JYIxBi3kMQ==", + "dependencies": { + "commander": "^9.0.0" + }, + "bin": { + "showdown": "bin/showdown.js" + }, + "funding": { + "type": "individual", + "url": "https://www.paypal.me/tiviesantos" + } + }, + "node_modules/showdown/node_modules/commander": { + "version": "9.5.0", + "resolved": "https://registry.npmjs.org/commander/-/commander-9.5.0.tgz", + "integrity": "sha512-KRs7WVDKg86PWiuAqhDrAQnTXZKraVcCc6vFdL14qrZ/DcWwuRo7VoiYXalXO7S5GKpqYiVEwCbgFDfxNHKJBQ==", + "engines": { + "node": "^12.20.0 || >=14" + } + }, "node_modules/signal-exit": { "version": "3.0.7", "resolved": "https://registry.npmjs.org/signal-exit/-/signal-exit-3.0.7.tgz", @@ -9898,7 +10065,6 @@ "version": "0.6.1", "resolved": "https://registry.npmjs.org/source-map/-/source-map-0.6.1.tgz", "integrity": "sha512-UjgapumWlbMhkBgzT7Ykc5YXUT46F0iKu8SGXq0bcwP5dz/h0Plj6enJqjz1Zbq2l5WaqYnrVbwWOWMyF3F47g==", - "dev": true, "engines": { "node": ">=0.10.0" } @@ -9916,7 +10082,6 @@ "version": "0.5.21", "resolved": "https://registry.npmjs.org/source-map-support/-/source-map-support-0.5.21.tgz", "integrity": "sha512-uBHU3L3czsIyYXKX88fdrGovxdSCoTGDRZ6SYXtSRxLZUzHg5P/66Ht6uoUlHu9EZod+inXhKo3qQgwXUT/y1w==", - "dev": true, "dependencies": { "buffer-from": "^1.0.0", "source-map": "^0.6.0" @@ -10068,7 +10233,6 @@ "version": "3.1.1", "resolved": "https://registry.npmjs.org/strip-json-comments/-/strip-json-comments-3.1.1.tgz", "integrity": "sha512-6fPc+R4ihwqP6N/aIv2f1gMH8lOVtWQHoqC4yK6oSDVVocumAsfCqjkXnqiYMhmMwS/mEHLp7Vehlt3ql6lEig==", - "dev": true, "engines": { "node": ">=8" }, @@ -10227,7 +10391,6 @@ "version": "5.18.2", "resolved": "https://registry.npmjs.org/terser/-/terser-5.18.2.tgz", "integrity": "sha512-Ah19JS86ypbJzTzvUCX7KOsEIhDaRONungA4aYBjEP3JZRf4ocuDzTg4QWZnPn9DEMiMYGJPiSOy7aykoCc70w==", - "dev": true, "dependencies": { "@jridgewell/source-map": "^0.3.3", "acorn": "^8.8.2", @@ -10609,8 +10772,7 @@ "node_modules/tslib": { "version": "2.6.0", "resolved": "https://registry.npmjs.org/tslib/-/tslib-2.6.0.tgz", - "integrity": "sha512-7At1WUettjcSRHXCyYtTselblcHl9PJFFVKiCAy/bY97+BPZXSQ2wbq0P9s8tK2G7dFQfNnlJnPAiArVBVBsfA==", - "dev": true + "integrity": "sha512-7At1WUettjcSRHXCyYtTselblcHl9PJFFVKiCAy/bY97+BPZXSQ2wbq0P9s8tK2G7dFQfNnlJnPAiArVBVBsfA==" }, "node_modules/type-check": { "version": "0.4.0", @@ -10661,8 +10823,7 @@ "node_modules/uc.micro": { "version": "1.0.6", "resolved": "https://registry.npmjs.org/uc.micro/-/uc.micro-1.0.6.tgz", - "integrity": "sha512-8Y75pvTYkLJW2hWQHXxoqRgV7qb9B+9vFEtidML+7koHUFapnVJAZ6cKs+Qjz5Aw3aZWHMC6u0wJE3At+nSGwA==", - "dev": true + "integrity": "sha512-8Y75pvTYkLJW2hWQHXxoqRgV7qb9B+9vFEtidML+7koHUFapnVJAZ6cKs+Qjz5Aw3aZWHMC6u0wJE3At+nSGwA==" }, "node_modules/unbzip2-stream": { "version": "1.4.3", @@ -10677,8 +10838,7 @@ "node_modules/underscore": { "version": "1.13.6", "resolved": "https://registry.npmjs.org/underscore/-/underscore-1.13.6.tgz", - "integrity": "sha512-+A5Sja4HP1M08MaXya7p5LvjuM7K6q/2EaC0+iovj/wOcMsTzMvDFbasi/oSapiwOlt252IqsKqPjCl7huKS0A==", - "dev": true + "integrity": "sha512-+A5Sja4HP1M08MaXya7p5LvjuM7K6q/2EaC0+iovj/wOcMsTzMvDFbasi/oSapiwOlt252IqsKqPjCl7huKS0A==" }, "node_modules/universalify": { "version": "0.2.0", @@ -11536,8 +11696,7 @@ "node_modules/xmlcreate": { "version": "2.0.4", "resolved": "https://registry.npmjs.org/xmlcreate/-/xmlcreate-2.0.4.tgz", - "integrity": "sha512-nquOebG4sngPmGPICTS5EnxqhKbCmz5Ox5hsszI2T6U5qdrJizBc+0ilYSEjTSzU0yZcmvppztXe/5Al5fUwdg==", - "dev": true + "integrity": "sha512-nquOebG4sngPmGPICTS5EnxqhKbCmz5Ox5hsszI2T6U5qdrJizBc+0ilYSEjTSzU0yZcmvppztXe/5Al5fUwdg==" }, "node_modules/y18n": { "version": "5.0.8", diff --git a/package.json b/package.json index 03f1268aa..e8f46a0f2 100644 --- a/package.json +++ b/package.json @@ -22,6 +22,10 @@ "text" ] }, + "engines": { + "npm": ">=8.11", + "node": ">=16.16.0" + }, "license": "BSD-3-Clause", "main": "build/3Dmol.js", "types": "build/types/index.d.ts", @@ -40,13 +44,10 @@ "generate:glcheck": "python3 ./tests/glcheck/generate_glcheck_render_tests.py -min", "generate:jest": "python3 tests/jest/generate_jest_render_tests.py", "cover": "npm run generate:jest && npx jest --coverage", - "doc": "npx jsdoc -c jsdoc.conf.json src doc.md" - }, - "engines": { - "npm": ">=8.11", - "node": ">=16.16.0" + "doc": "rm -rf doc/ && npx jsdoc -c jsdoc.conf.json src doc.md" }, "dependencies": { + "clean-jsdoc-theme": "^4.2.9", "iobuffer": "^5.3.1", "netcdfjs": "^2.0.2", "pako": "^2.1.0", diff --git a/tutorials/embeddable.md b/tutorials/embeddable.md index 2f09b9385..b4eeae322 100644 --- a/tutorials/embeddable.md +++ b/tutorials/embeddable.md @@ -30,7 +30,9 @@ The contents of the viewer can be set and manipulated through the use of `data-` - **data-ui** If set will show the UI for the viewer. Multiple selections, styles, residue labels, and surfaces can be provided by appending a suffix - each tag. For example. + each tag. + +For example: ```{@lang xml}
Once created, the 3Dmol viewer can be accessed using the id of the container div in `$3Dmol.viewers`. - - - - diff --git a/tutorials/home.json b/tutorials/home.json new file mode 100644 index 000000000..d24fde8ef --- /dev/null +++ b/tutorials/home.json @@ -0,0 +1,3 @@ +{ + "title" : "3Dmol Tutorials - Home" +} diff --git a/tutorials/home.md b/tutorials/home.md new file mode 100644 index 000000000..533f9aab2 --- /dev/null +++ b/tutorials/home.md @@ -0,0 +1,7 @@ + +This guide helps you with learning how to, + +- [Use 3Dmol within your code](tutorial-code.html) +- [Embedding a 3Dmol Viewer](tutorial-embeddable.html) +- [Active Learning with 3Dmol.js](tutorial-learning_environment.html) +- [Hosted 3Dmol.js viewer](tutorial-url.html) \ No newline at end of file diff --git a/tutorials/learning_environment.md b/tutorials/learning_environment.md index 0577489d7..dae9ba740 100644 --- a/tutorials/learning_environment.md +++ b/tutorials/learning_environment.md @@ -49,6 +49,3 @@ ProxyPassReverse /socket.io http://localhost:5000/socket.io The [flask-SocketIO documentation](https://flask-socketio.readthedocs.io/en/latest/) provides more information for running in other setups such as gunicorn, uwsgi, and nginx. - - - diff --git a/tutorials/url.md b/tutorials/url.md index 6d86160ab..31e81d6aa 100644 --- a/tutorials/url.md +++ b/tutorials/url.md @@ -1,19 +1,19 @@ - You can view a PDB structure immediately by visiting the 3Dmol.js server. Simply type `https://3Dmol.org/viewer.html` with an appropriately formatted [URL query string](http://en.wikipedia.org/wiki/Query_string) into your browser. A 3Dmol viewer URL takes the form `https://3Dmol.org/viewer.html?[query string]`, where the `query string` specifies a structure (i.e. a PDB ID) and specific 3Dmol styles to apply. Click the URL below for an example. -[`https://3Dmol.org/viewer.html?pdb=1YCR&select=chain:A&style=cartoon;stick:radius~0.1&surface=opacity:0.8;colorscheme:whiteCarbon&select=chain:B&style=cartoon;line&select=resi:19,23,26;chain:B&style=stick&labelres=backgroundOpacity:0.8;fontSize:14`](../viewer.html?pdb=1YCR&select=chain:A&style=cartoon;stick:radius~0.1&surface=opacity:0.8;colorscheme:whiteCarbon&select=chain:B&style=cartoon;line&select=resi:19,23,26;chain:B&style=cartoon;stick&labelres=backgroundOpacity:0.8;fontSize:14) +https://3Dmol.org/viewer.html?pdb=1YCR&select=chain:A&style=cartoon;stick:radius~0.1&surface=opacity:0.8;colorscheme:whiteCarbon&select=chain:B&style=cartoon;line&select=resi:19,23,26;chain:B&style=stick&labelres=backgroundOpacity:0.8;fontSize:14 + #### Mouse Controls #### -Movement |      | Mouse Input |      | Touch Input ----------|-|:------------|------------ -Rotation | | Primary Mouse Button | | Single touch -Translation | | Middle Mouse Button or Ctrl+Primary | | Triple touch -Zoom | | Scroll Wheel or Second Mouse Button or Shift+Primary | | Pinch (double touch) -Slab | | Ctrl+Second | | Not Available +| Movement | Mouse Input | Touch Input | +| ----------- | ---------------------------------------------------- | -------------------- | +| Rotation | Primary Mouse Button | Single touch | +| Translation | Middle Mouse Button or Ctrl+Primary | Triple touch | +| Zoom | Scroll Wheel or Second Mouse Button or Shift+Primary | Pinch (double touch) | +| Slab | Ctrl+Second | Not Available | ### Building a Query String ### @@ -22,7 +22,6 @@ The URL query can be composed of three types of specifiers: a single **structure Specifiers are read in the order they are added, and are separated by an '&' character. - #### Specifying a Structure #### The **structure identifier** portion of the URL is a single selector formatted as `pdb=[PDB ID]`, `cid=[PubChem CID]`, or `url=[URL]` @@ -45,7 +44,6 @@ Be default, the file format will be inferred by any extension (e.g., `.sdf`) pre manually specified using the type parameter, as shown above. -
#### Selecting atoms ####