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

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

View source: R/703-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 extrDrug... functions.

Value

A list, containing parsed Java molecular object.

Author(s)

Min-feng Zhu <wind2zhu@163.com>, Nan Xiao <http://r2s.name>

See Also

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

Examples

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mol  = readMolFromSDF(system.file('compseq/DB00859.sdf', package = 'BioMedR'))
mols = readMolFromSDF(c(system.file('compseq/DB00859.sdf', package = 'BioMedR'),
                        system.file('compseq/DB00860.sdf', package = 'BioMedR')))

BioMedR documentation built on Nov. 17, 2017, 10:08 a.m.