Victor
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class manages the angle qualities and the energy More...
Public Member Functions | |
virtual long double | calculateEnergy (Spacer &sp) |
virtual long double | calculateEnergy (Spacer &sp, unsigned int index1, unsigned int index2) |
virtual long double | calculateEnergy (AminoAcid &aa) |
virtual double | calculateMaxEnergy (Spacer &sp) |
virtual double | calculateMaxEnergy (unsigned int amino) |
virtual double | calculateMinEnergy (Spacer &sp) |
virtual double | calculateMinEnergy (unsigned int amino) |
Protected Member Functions | |
virtual void | pConstructData () |
virtual void | pResetData () |
class manages the angle qualities and the energy
This class implements a simple torsion potential based on the statistical preference of aminoacid types for phi, psi, omega and chi1 angles.
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virtual |
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virtual |
calculates energy
spacer | reference, unsigned int for index 1 and 2 |
Implements TorsionPotential.
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virtual |
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virtualinherited |
Calculates the maximum energy for the amino acids in the spacer
spacer | reference(Spacer&) |
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virtualinherited |
Calculates the maximum energy for an amino acid
index | of the amino acid, consider the enum list(unsigned int) |
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virtualinherited |
Calculates the minimum energy for the amino acids in the spacer
spacer | reference(Spacer&) |
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virtualinherited |
Calculates the minimum energy for an amino acid
index | of the amino acid, consider the enum list(unsigned int) |
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protectedvirtual |
Implements TorsionPotential.
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protectedvirtual |
Implements TorsionPotential.