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Cdk (host object) - Revision history
2026-04-13T10:45:17Z
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WikiBot: Protected "Cdk (host object)": Autogenerated page ([edit=sysop] (indefinite))
2013-05-16T07:57:10Z
<p>Protected "<a href="/index.php/Cdk_(host_object)" title="Cdk (host object)">Cdk (host object)</a>": Autogenerated page ([edit=sysop] (indefinite))</p>
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<td colspan='1' style="background-color: white; color:black;">← Older revision</td>
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WikiBot: Host objects added
2013-05-16T07:57:09Z
<p>Host objects added</p>
<p><b>New page</b></p><div>;Host object name<br />
:cdk<br />
;Class<br />
:{{Class|biouml.plugins.chemoinformatics.JavaScriptCDK}}<br />
;Plugin<br />
:[[Biouml.plugins.chemoinformatics (plugin)|biouml.plugins.chemoinformatics (chemoinformatics plugin)]]<br />
[[Category:Host objects]]<br />
=== JavaScript host object ===<br />
ScriptableObject '''cdk'''<br />
<br />
Provides CDK-derived functionality<br />
<br />
==== Functions: ====<br />
<br />
* Structure '''addExplicitHydrogens'''(Structure molecule)<br />
* Structure '''addImplicitHydrogens'''(Structure molecule)<br />
* boolean '''areIsomorphic'''(Structure molecule1, Structure molecule2)<br />
* double '''calculateMass'''(Structure molecule)<br />
* String '''calculateRMSD'''(Structure<nowiki>[]</nowiki> molecules)<br />
* String '''calculateSMILES'''(Structure molecule)<br />
* String '''calculateTanimoto'''(Structure<nowiki>[]</nowiki> calculateFor)<br />
* String '''determineFormat'''(String path)<br />
* {{Class|org.openscience.cdk.io.formats.IChemFormat}} '''determineIChemFormat'''(String path)<br />
* {{Class|org.openscience.cdk.io.formats.IChemFormat}} '''determineIChemFormatOfString'''(String content)<br />
* boolean '''fingerPrintMatches'''(Structure molecule, Structure subStructure)<br />
* Structure '''fromCml'''(String cml)<br />
* Structure '''fromSMILES'''(String SMILES)<br />
* Structure '''fromString'''(String molstring)<br />
* Structure<nowiki>[]</nowiki> '''generate2dCoordinates'''(Structure<nowiki>[]</nowiki> molecules)<br />
* {{Class|org.openscience.cdk.io.formats.IChemFormat}} '''getFormat'''(String type)<br />
* String '''getFormats'''()<br />
* MoleculesInfo '''getInfo'''(String path)<br />
* String '''getMDLMolfileString'''(Structure molecule)<br />
* int '''getNoMolecules'''(String path)<br />
* Object '''getProperty'''(Structure molecule, String property)<br />
* Structure<nowiki>[]</nowiki> '''getSmartsMatches'''(Structure molecule, String smarts)<br />
* Structure<nowiki>[]</nowiki> '''getSubstructures'''(Structure molecule, Structure substructure)<br />
* IChemFormat '''guessFormatFromExtension'''(String type)<br />
* boolean '''has2d'''(Structure mol)<br />
* boolean '''has3d'''(Structure mol)<br />
* boolean '''isConnected'''(Structure molecule)<br />
* boolean '''isValidSmarts'''(String SMARTS)<br />
* Structure<nowiki>[]</nowiki> '''kabsch'''(molecules Structure<nowiki>[]</nowiki>, Structure molecule)<br />
* Structure<nowiki>[]</nowiki> '''loadConformers'''(String path)<br />
* Structure '''loadMolecule'''(String path)<br />
* Structure<nowiki>[]</nowiki> '''loadMolecules'''(String path)<br />
* Structure<nowiki>[]</nowiki> '''loadSMILESFile'''(String path)<br />
* Structure '''mcss'''(molecules Structure<nowiki>[]</nowiki>)<br />
* String '''molecularFormula'''(Structure molecule)<br />
* Structure<nowiki>[]</nowiki> '''partition'''(Structure molecule)<br />
* boolean '''perceiveAromaticity'''(Structure mol)<br />
* Structure '''removeExplicitHydrogens'''(Structure molecule)<br />
* Structure '''removeImplicitHydrogens'''(Structure molecule)<br />
* boolean '''smartsMatches'''(Structure molecule, Strung smarts)<br />
* boolean '''subStructureMatches'''(Structure molecule, Structure subStructure)<br />
* int '''totalFormalCharge'''(Structure molecule)<br />
<br />
[[Category:Autogenerated pages]]</div>
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