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root/owl/trunk/testGraph2Pml.java

#	Line 42 | Line 42
42
43		//Edges as lines
44		//export the pdb file directly from msdsd and load it in pymol
45	<	pdbFileName = Msdsd2Pdb.export2File("1rx4", 20717, 52567, 9, "/project/StruPPi/ioannis/tmp");
45	>	pdbFileName =  "1rx4_20717_52567";
46	>	try {
47	>	Msdsd2Pdb.export2File("1rx4", 20717, 52567, "/project/StruPPi/ioannis/tmp/"+pdbFileName, "filippis");
48	>	} catch (Exception e) {
49	>	e.printStackTrace();
50	>	}
51		molObjName = pml.loadPDB(pdbFileName, "/project/StruPPi/ioannis/tmp");
52		System.out.println(molObjName);
53
#	Line 162 | Line 167
167		pml.delete("all", false);
168
169		//test multi-chain macromolecule with RNA also
170	<	pdbFileName = Msdsd2Pdb.export2File("1a0a", 1107, 2560, 1, "/project/StruPPi/ioannis/tmp");
170	>	pdbFileName =  "1a0a_1107_2560";
171	>	try {
172	>	Msdsd2Pdb.export2File("1a0a", 1107, 2560, "/project/StruPPi/ioannis/tmp/"+pdbFileName, "filippis");
173	>	} catch (Exception e) {
174	>	e.printStackTrace();
175	>	}
176		molObjName = pml.loadPDB(pdbFileName, "/project/StruPPi/ioannis/tmp");
177		System.out.println(molObjName);
178
#	Line 242 | Line 252
252		pml.delete("all", false);
253
254		//CGO EDGES SECTION
255	<	pdbFileName = Msdsd2Pdb.export2File("1kj0", 21698, 55132, 9, "/project/StruPPi/ioannis/tmp");
255	>	pdbFileName =  "1kj0_21698_55132";
256	>	try {
257	>	Msdsd2Pdb.export2File("1kj0", 21698, 55132, "/project/StruPPi/ioannis/tmp/"+pdbFileName, "filippis");
258	>	} catch (Exception e) {
259	>	e.printStackTrace();
260	>	}
261		molObjName = pml.loadPDB(pdbFileName, "/project/StruPPi/ioannis/tmp");
262
263		//Cgo makes sense to be used with directed graph

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