private static void demoAtomCache() {
AtomCache cache = new AtomCache();
FileParsingParameters params = cache.getFileParsingParams();
params.setLoadChemCompInfo(false);
params.setAlignSeqRes(true);
params.setHeaderOnly(false);
params.setParseCAOnly(false);
params.setParseSecStruc(false);
String[] pdbIDs = new String[] {"4hhb", "1cdg", "5pti", "1gav", "WRONGID"};
for (String pdbID : pdbIDs) {
try {
Structure s = cache.getStructure(pdbID);
if (s == null) {
System.out.println("could not find structure " + pdbID);
continue;
}
// do something with the structure
System.out.println(s);
} catch (Exception e) {
// something crazy happened...
System.err.println("Can't load structure " + pdbID + " reason: " + e.getMessage());
e.printStackTrace();
}
}
}
