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import proteinstructure.*; |
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import java.util.HashMap; |
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public class compareCMs { |
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/** |
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* @param args |
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*/ |
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public static void main(String[] args) throws Exception { |
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String onlyIn1File="onlyin1.graph"; |
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String onlyIn2File="onlyin2.graph"; |
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String commonFile="common.graph"; |
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String pdbcode1="1ses"; |
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String chaincode1="A"; |
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String pdbcode2="1set"; |
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String chaincode2="A"; |
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System.out.println("loading structures from pdbase"); |
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Pdb pdb1 = new PdbasePdb(pdbcode1); |
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pdb1.load(chaincode1); |
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Pdb pdb2 = new PdbasePdb(pdbcode2); |
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pdb2.load(chaincode2); |
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System.out.println("getting graphs"); |
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RIGraph graph1 = pdb1.get_graph("ALL", 4.2); |
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RIGraph graph2 = pdb2.get_graph("ALL", 4.2); |
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HashMap<String,RIGraph> comparison = graph1.compare(graph2); |
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RIGraph onlyIn1 = comparison.get("onlythis"); |
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RIGraph onlyIn2 = comparison.get("onlyother"); |
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RIGraph common = comparison.get("common"); |
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System.out.println("writing output files "+onlyIn1File+", "+onlyIn2File+", "+commonFile); |
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onlyIn1.write_graph_to_file(onlyIn1File); |
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onlyIn2.write_graph_to_file(onlyIn2File); |
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common.write_graph_to_file(commonFile); |
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} |
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} |
