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DemoCATH.java
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51 lines (33 loc) · 1.1 KB
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package demo;
import org.biojava.bio.structure.Structure;
import org.biojava.bio.structure.align.util.AtomCache;
import org.biojava.bio.structure.align.util.UserConfiguration;
import org.biojava.bio.structure.cath.CathDatabase;
import org.biojava.bio.structure.cath.CathDomain;
import org.biojava.bio.structure.cath.CathInstallation;
/** An example for how to access CATH data.
*
* run with -Xmx512M
*
* @author Andreas Prlic
*
*/
public class DemoCATH {
public static void main(String[] args){
UserConfiguration config = new UserConfiguration();
config.setPdbFilePath("/tmp/");
AtomCache cache = new AtomCache(config);
CathDatabase database = new CathInstallation(config.getPdbFilePath());
String domainID = "1cdgA01";
CathDomain cathDomain = database.getDescriptionByCathId(domainID);
System.out.println(cathDomain);
Structure cathDomainStructure;
try {
cathDomainStructure = cache.getStructure(domainID);
System.out.println(cathDomainStructure);
} catch (Exception e) {
// TODO Auto-generated catch block
e.printStackTrace();
}
}
}