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import java.io.File; |
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import owl.core.runners.CalcSurfVolRunner; |
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import owl.core.structure.Pdb; |
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import owl.core.structure.PdbasePdb; |
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import owl.core.structure.TemplateList; |
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String pdbChainCode = pdbId.substring(4,5); |
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Pdb pdb = new PdbasePdb(pdbCode, "pdbase", conn); |
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pdb.load(pdbChainCode); |
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System.out.printf("%10.3f\t",pdb.calcVolume(CALCVOL_EXE, "")); |
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System.out.printf("%10.3f\n",pdb.calcSurface(CALCSURF_EXE, "")); |
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System.out.printf("%10.3f\t",CalcSurfVolRunner.calcVolume(pdb,CALCVOL_EXE, "")); |
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System.out.printf("%10.3f\n",CalcSurfVolRunner.calcSurface(pdb,CALCSURF_EXE, "")); |
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} |
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