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Zasso"},"license":"BSD-3-Clause","homepage":"https://github.com/cheminfo/openchemlib-js","keywords":["chemistry","molecule","molfile","SMILES"],"repository":{"type":"git","url":"git://github.com/cheminfo/openchemlib-js.git"},"description":"Manipulate molecules","contributors":[{"name":"Christian Rufener"}],"maintainers":[{"name":"targos","email":"npm@secmail.targos.dev"},{"name":"lpatiny","email":"luc@patiny.com"},{"name":"cheminfo-bot","email":"bot+npm-cheminfo@zakodium.com"},{"name":"stropitek","email":"kostro.d@gmail.com"}],"readme":"<h3 align=\"center\">\n  <a href=\"https://www.zakodium.com\">\n    <img src=\"https://www.zakodium.com/brand/zakodium-logo-white.svg\" width=\"50\" alt=\"Zakodium logo\" />\n  </a>\n  <p>\n    Maintained by <a href=\"https://www.zakodium.com\">Zakodium</a>\n  </p>\n</h3>\n\n# OpenChemLib JS\n\n[![NPM version][npm-image]][npm-url]\n[![npm download][download-image]][download-url]\n[![license][license-image]][license-url]\n[![DOI](https://www.zenodo.org/badge/23346814.svg)](https://www.zenodo.org/badge/latestdoi/23346814)\n\nJavaScript port of the [OpenChemLib](https://github.com/actelion/openchemlib) Java library.\n\n## Installation\n\n```console\nnpm install openchemlib\n```\n\n## Documentation\n\n- [Generated API documentation](https://cheminfo.github.io/openchemlib-js/)\n- [Web examples](https://openchemlib-js.pages.dev)\n\n## Development\n\nTo build this project, you need:\n\n- Java JDK (Tested with version 25)\n- GWT (Tested with version 2.13.1, [Download build here](http://www.gwtproject.org/download.html))\n- Node.js (Tested with version 26, [Download here](https://nodejs.org/en/download/))\n\n### Install dependencies\n\n```console\nnpm ci\n```\n\n### Configure directories\n\nCopy `config.default.json` to `config.json` and put the path to the GWT classes on your computer.  \nIf you want to use a custom JDK installation, set the \"jdk\" key to be the path to your JDK directory.\n\n### npm scripts\n\nTo run one of the scripts, use `npm run <scriptName>`.  \nTo pass additional options, use `npm run <scriptName> -- --option`.\n\n#### build-java\n\nCompile and export the Java API.\n\n#### copy-openchemlib\n\nCopy the required Java files from the openchemlib project.\n\n## License\n\n[BSD-3-Clause](./LICENSE)\n\n[npm-image]: https://img.shields.io/npm/v/openchemlib.svg\n[npm-url]: https://www.npmjs.com/package/openchemlib\n[download-image]: https://img.shields.io/npm/dm/openchemlib.svg\n[download-url]: https://www.npmjs.com/package/openchemlib\n[license-image]: https://img.shields.io/npm/l/openchemlib.svg\n[license-url]: https://github.com/cheminfo/openchemlib-js/blob/main/LICENSE\n","readmeFilename":"README.md","users":{"targos":true}}