webchem (version 0.0.5.0)

cs_inchikey_mol: Convert a InChIkey to a Molfile

Description

Convert a InChIkey to a Molfile

Usage

cs_inchikey_mol(inchikey, parse = TRUE, verbose = TRUE, ...)

Arguments

inchikey

character, A InChIKey.

parse

should the molfile be parsed to a R object? If FALSE the raw mol is returned as string.

verbose

logical; should a verbose output be printed on the console?

...

currently not used.

Value

• If parse = FALSE then a charactersting, else a RMol-object (from parse_mol)

See Also

This is a low level function. Please see cs_convert for the top level function.

Examples

# might fail if API is not available
tric_mol <- cs_inchikey_mol('BQJCRHHNABKAKU-KBQPJGBKSA-N')
tric_mol
cs_inchikey_mol('BQJCRHHNABKAKU-KBQPJGBKSA-N',parse = FALSE)