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

In BioMedR: Generating Various Molecular Representations for Chemicals, Proteins, DNAs/RNAs and Their Interactions

Description

Read Molecules from SDF Files and Return Parsed Java Molecular Object

Usage

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 <[e-mail]>, Nan Xiao <http://r2s.name>

See Also

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

Examples

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.