readMolFromSDF: Read Molecules from SDF Files and Return Parsed Java...

Description Usage Arguments Details Value Author(s) See Also Examples

View source: R/503-readMolFromSDF.R

Description

Read Molecules from SDF Files and Return Parsed Java Molecular Object

Usage

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readMolFromSDF(sdffile)

Arguments

sdffile

Character vector, containing SDF file location(s).

Details

This function reads molecules from SDF files and return parsed Java molecular object needed by extractDrug... functions.

Value

A list, containing parsed Java molecular object.

Author(s)

Nan Xiao <https://nanx.me>

See Also

See readMolFromSmi for reading molecules by SMILES string and returning parsed Java molecular object.

Examples

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sdf  = system.file('compseq/DB00859.sdf', package = 'Rcpi')
sdfs = c(system.file('compseq/DB00859.sdf', package = 'Rcpi'),
         system.file('compseq/DB00860.sdf', package = 'Rcpi'))

mol  = readMolFromSDF(sdf)
mols = readMolFromSDF(sdfs)

Rcpi documentation built on Nov. 24, 2018, 6 p.m.