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[ 源代码: jni-inchi  ]

软件包:libjni-inchi-java(0.8+dfsg-7)

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Java Native Interface wrapper for InChI

JNI-InChI provides JNI (Java Native Interface) wrappers for the InChI (International Chemical Identifier) C library distributed by IUPAC. All of the features from the InChI libarary are supported:

 * Standard and Non-Standard InChI generation from structures with 3D, 2D,
   or no coordinates
 * Structure generation (without coordinates) from InChI
 * InChIKey generation
 * Check InChI / InChIKey
 * InChI-to-InChI conversion
 * AuxInfo to InChI input
 * Access to the full range of options supported by InChI
 * Full support for InChI's handling of stereochemistry

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