String isel[] = new String[files.length];
// reference structure - all others are superposed in it
String[] targetC = new String[files.length];
+ String[] chainNames = new String[files.length];
for (int pdbfnum = 0; pdbfnum < files.length; pdbfnum++)
{
StructureMapping[] mapping = ssm.getMapping(files[pdbfnum]);
{
targetC[pdbfnum] = ":" + mapping[m].getChain();
}
+ chainNames[pdbfnum] = mapping[m].getPdbId()+targetC[pdbfnum];
// move on to next pdb file
s = sequence[pdbfnum].length;
break;
{
continue;
}
- command.append("compare ");
+ command.append("echo ");
+ command.append("\"Superposing (");
+ command.append(chainNames[pdbfnum]);
+ command.append(") against reference (");
+ command.append(chainNames[refStructure]);
+ command.append(")\";\ncompare ");
command.append("{");
command.append(1 + pdbfnum);
command.append(".1} {");