Package | Description |
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io.github.dan2097.jnarinchi |
This package provides functionality related to RInChI.
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Modifier and Type | Method and Description |
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static FileTextOutput |
JnaRinchi.rinchiToFileText(String rinchi,
String auxInfo,
ReactionFileFormat fileFormat)
Converts RInChI and RAuxInfo into a reaction, represented in MDL RXN or RDFile format.
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static FileTextOutput |
JnaRinchi.rinchiToFileText(String rinchi,
String auxInfo,
ReactionFileFormat fileFormat)
Converts RInChI and RAuxInfo into a reaction, represented in MDL RXN or RDFile format.
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