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,' ')
