Add property to SDF from file

adSDFprop.js

//***************************************************************
// Script that iterates over an SDFile and adds precalculated values 
// from an external file as a property and saves as a new SDFile.
//
// The file with values have one value per row in same order as 
// the molecukes in the SDFile.
//
// Author: Ola Spjuth 
//****************************************************************

PROPERTY_NAME="pdgfr_response";
it = cdk.createMoleculeIterator("/raj1/molecules/pdgfr.sdf");
responses=ui.readFileIntoArray("/raj1/plasma.depv");

//Create a list to hold the resulting molecules
list=cdk.createMoleculeList();
ix=0;
while (it.hasNext()){
	mol=it.next();
	prop=responses[ix];
	cdk.setProperty(mol, PROPERTY_NAME, prop);
	list.add(mol);
	ix++;
}
 
cdk.saveSDFile("raj1/pdgfr_props.sdf", list);