readMolFromSDF {Rcpi} | R Documentation |
Read Molecules from SDF Files and Return Parsed Java Molecular Object
readMolFromSDF(sdffile)
sdffile |
Character vector, containing SDF file location(s). |
This function reads molecules from SDF files and return
parsed Java molecular object needed by extractDrug...
functions.
A list, containing parsed Java molecular object.
Nan Xiao <https://nanx.me>
See readMolFromSmi
for reading molecules by SMILES
string and returning parsed Java molecular object.
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)