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# ANM conformer 1
conformer1 = parsePDB('./conf_pr/output0.pdb', model=1, subset='calpha')
anm = ANM('b2ar 1')
anm.buildHessian(conformer1, cutoff=8.0)
anm.calcModes(100)
writeNMD('b2ar_anm1.nmd', anm[:10], conformer1)
# ANM conformer 2
conformer2 = parsePDB('./conf_pr/output1.pdb', model=1, subset='calpha')
anm2 = ANM('b2ar 2')
anm2.buildHessian(conformer2, cutoff=8.0)
anm2.calcModes(100)
writeNMD('b2ar_anm2.nmd', anm2[:10], conformer2)
# ANM conformer 3
conformer3 = parsePDB('./conf_pr/output2.pdb', model=1, subset='calpha')
anm3 = ANM('b2ar 3')
anm3.buildHessian(conformer3, cutoff=8.0)
anm3.calcModes(100)
writeNMD('b2ar_anm3.nmd', anm3[:10], conformer3)
# ANM conformer 4
conformer4 = parsePDB('./conf_pr/output3.pdb', model=1, subset='calpha')
anm4 = ANM('b2ar 4')
anm4.buildHessian(conformer4, cutoff=8.0)
anm4.calcModes(100)
writeNMD('b2ar_anm4.nmd', anm4[:10], conformer4)
# ANM conformer 5
conformer5 = parsePDB('./conf_pr/output4.pdb', model=1, subset='calpha')
anm5 = ANM('b2ar 5')
anm5.buildHessian(conformer5, cutoff=8.0)
anm5.calcModes(100)
writeNMD('b2ar_anm5.nmd', anm5[:10], conformer5)

for i in range(5):
    conformer = parsePDB('./conf_pr/output%s.pdb' % i, model=1, subset='calpha')
    n = i + 1
    anm = ANM('b2ar %s' % n)
    anm.buildHessian(conformer, cutoff=8.0)
    anm.calcModes(100)
    writeNMD('b2ar_anm%s.nmd' % n, anm, conformer)