Dipole moment for 1dke: NI BETA HEME HUMAN HEMOGLOBIN

show whole-molecule ChainID = ASpherical NI BETA HEME HUMAN HEMOGLOBIN
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1068. 141. 161.29 14. 12. 2. 144. 1643. 0.0019 0.1350
No.Dev.Units -0.60 -0.56 -0.67 -0.64 -0.81 0.69 -0.95 -0.24 0.57 -0.83
Dipole vector (in atomic units): -4.49 8.54 -28.42
Mass Moments vector: 309.20 239.67 284.73
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show whole-molecule ChainID = BSpherical NI BETA HEME HUMAN HEMOGLOBIN
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1122. 146. 170.34 14. 15. -1. 232. 1654.-0.0009 0.2064
No.Dev.Units -0.55 -0.53 -0.61 -0.64 -0.66 0.30 -0.74 -0.24 0.09 -0.58
Dipole vector (in atomic units): 41.07 -6.63 24.38
Mass Moments vector: 326.19 276.60 279.73
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show whole-molecule ChainID = CSpherical NI BETA HEME HUMAN HEMOGLOBIN
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1068. 141. 160.55 14. 12. 2. 128. 806. 0.0019 0.1203
No.Dev.Units -0.60 -0.56 -0.67 -0.64 -0.81 0.69 -0.99 -0.49 0.57 -0.88
Dipole vector (in atomic units): 2.92 17.13 20.34
Mass Moments vector: 258.69 301.08 272.80
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show whole-molecule ChainID = DSpherical NI BETA HEME HUMAN HEMOGLOBIN
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1122. 146. 169.88 14. 15. -1. 191. 1699.-0.0009 0.1700
No.Dev.Units -0.55 -0.53 -0.61 -0.64 -0.66 0.30 -0.84 -0.23 0.09 -0.71
Dipole vector (in atomic units): -23.48 -25.16 -19.79
Mass Moments vector: 258.13 327.42 293.08
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Bioinformatics and Biological Computing
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