openchemlib 7.3.0 → 7.4.3
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.
- package/README.md +19 -17
- package/dist/openchemlib-core.js +140 -140
- package/dist/openchemlib-full.js +152 -152
- package/dist/openchemlib-full.pretty.js +77 -34
- package/dist/openchemlib-minimal.js +106 -106
- package/package.json +7 -7
- package/types.d.ts +55 -0
- package/CHANGELOG.md +0 -470
package/README.md
CHANGED
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@@ -3,6 +3,8 @@
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[![NPM version][npm-image]][npm-url]
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[![build status][ci-image]][ci-url]
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[![npm download][download-image]][download-url]
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[](https://www.zenodo.org/badge/latestdoi/23346814)
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JavaScript port of the [OpenChemLib](https://github.com/actelion/openchemlib) Java library.
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The `full` build (`require('openchemlib/full')`) build is the largest build.
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It contains a structure viewer and a structure editor for browser applications.
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- [TypeDoc home page](https://cheminfo.github.io/openchemlib-js/
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- [TypeDoc home page](https://cheminfo.github.io/openchemlib-js/globals.html)
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### Modules present in minimal, core and full builds
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- [Molecule](https://cheminfo.github.io/openchemlib-js/
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- [Reaction](https://cheminfo.github.io/openchemlib-js/
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- [RingCollection](https://cheminfo.github.io/openchemlib-js/
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- [SDFileParser](https://cheminfo.github.io/openchemlib-js/
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- [SSSearcher](https://cheminfo.github.io/openchemlib-js/
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- [SSSearcherWithIndex](https://cheminfo.github.io/openchemlib-js/
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- [Util](https://cheminfo.github.io/openchemlib-js/
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- [Molecule](https://cheminfo.github.io/openchemlib-js/classes/molecule.html)
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- [Reaction](https://cheminfo.github.io/openchemlib-js/classes/reaction.html)
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- [RingCollection](https://cheminfo.github.io/openchemlib-js/classes/ringcollection.html)
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- [SDFileParser](https://cheminfo.github.io/openchemlib-js/classes/sdfileparser.html)
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- [SSSearcher](https://cheminfo.github.io/openchemlib-js/classes/sssearcher.html)
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- [SSSearcherWithIndex](https://cheminfo.github.io/openchemlib-js/classes/sssearcherwithindex.html)
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- [Util](https://cheminfo.github.io/openchemlib-js/modules/util.html)
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### Modules present only in core and full builds
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- [ConformerGenerator](https://cheminfo.github.io/openchemlib-js/
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- [DruglikenessPredictor](https://cheminfo.github.io/openchemlib-js/
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- [DrugScoreCalculator](https://cheminfo.github.io/openchemlib-js/
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- [ForceFieldMMFF94](https://cheminfo.github.io/openchemlib-js/
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- [MoleculeProperties](https://cheminfo.github.io/openchemlib-js/
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- [ToxicityPredictor](https://cheminfo.github.io/openchemlib-js/
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- [ConformerGenerator](https://cheminfo.github.io/openchemlib-js/classes/conformergenerator.html)
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- [DruglikenessPredictor](https://cheminfo.github.io/openchemlib-js/classes/druglikenesspredictor.html)
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- [DrugScoreCalculator](https://cheminfo.github.io/openchemlib-js/modules/drugscorecalculator.html)
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- [ForceFieldMMFF94](https://cheminfo.github.io/openchemlib-js/classes/forcefieldmmff94.html)
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- [MoleculeProperties](https://cheminfo.github.io/openchemlib-js/classes/moleculeproperties.html)
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- [ToxicityPredictor](https://cheminfo.github.io/openchemlib-js/classes/toxicitypredictor.html)
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### Modules present only in full build
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- [StructureEditor](https://cheminfo.github.io/openchemlib-js/
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- [StructureView](https://cheminfo.github.io/openchemlib-js/
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- [SVGRenderer](https://cheminfo.github.io/openchemlib-js/
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- [StructureEditor](https://cheminfo.github.io/openchemlib-js/classes/structureeditor.html)
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- [StructureView](https://cheminfo.github.io/openchemlib-js/modules/structureview.html)
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- [SVGRenderer](https://cheminfo.github.io/openchemlib-js/modules/svgrenderer.html)
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## Development
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