R/503-readMolFromSDF.R
readMolFromSDF.Rd
Read Molecules from SDF Files and Return Parsed Java Molecular Object
readMolFromSDF(sdffile)
sdffile | Character vector, containing SDF file location(s). |
---|
A list, containing parsed Java molecular object.
This function reads molecules from SDF files and return
parsed Java molecular object needed by extractDrug...
functions.
See readMolFromSmi
for reading molecules by SMILES
string and returning parsed Java molecular object.
# NOT RUN { sdf = system.file('compseq/DB00859.sdf', package = 'Rcpi') sdfs = c(system.file('compseq/DB00859.sdf', package = 'Rcpi'), system.file('compseq/DB00860.sdf', package = 'Rcpi')) # }# NOT RUN { mol = readMolFromSDF(sdf) mols = readMolFromSDF(sdfs) # }