def test21getCAlphaFromResidue(self): pdbFileName = "../../pdbs/1a0hA02.pdb" pdb = PDB(pdbFileName) pdb.load_atoms_hetams() pdb.loadResidues() pdb.loadIntSeqRes() atom = pdb.getCAlphaFromResidue(0) assert atom.toString() == "ATOM 2 CA ASP A 253 78.545 46.395 3.454 1.00 61.74 C " atom = pdb.getCAlphaFromResidue(12) assert atom.toString() == "ATOM 89 CA ASP A 264A 63.823 29.490 -10.700 1.00 86.06 C "
def test19getAtomsFromResidue(self): pdbFileName = "../../pdbs/1tbqL00.pdb" pdb = PDB(pdbFileName) pdb.load_atoms_hetams() pdb.loadResidues() pdb.loadIntSeqRes() atoms = pdb.getAtomsFromResidue(0) assert len(atoms) > 0 assert len(atoms) == 7 for atom in atoms: print ("%s\n" % (atom.toString(),))
def test18getIntSeqRes(self): pdbFileName = "../../pdbs/1tbqL00.pdb" pdbFileName2 = "../../pdbs/1a0hA02.pdb" pdb = PDB(pdbFileName) pdb2 = PDB(pdbFileName2) pdb.load_atoms_hetams() pdb2.load_atoms_hetams() pdb.loadResidues() pdb2.loadResidues() pdb.loadIntSeqRes() pdb2.loadIntSeqRes() assert pdb.getIntSeqRes(0) == (1,'U') assert pdb.getIntSeqRes(1) == (1,'T') assert pdb2.getIntSeqRes(0) == (253,' ')