8 #ifndef IMPATOM_ESTIMATES_H
9 #define IMPATOM_ESTIMATES_H
11 #include <IMP/atom/atom_config.h>
15 IMPATOM_BEGIN_NAMESPACE
90 return n * 1e4 / (v * 6.02);
94 inline double get_kd(
double na,
double nb,
double nab,
double volume) {
143 IMPATOM_END_NAMESPACE
double get_volume_from_residue_type(ResidueType rt)
Return an estimate for the volume of a given residue.
double get_einstein_rotational_diffusion_coefficient(double r)
double get_protein_density_from_reference(ProteinDensityReference densityReference)
double get_mass_from_number_of_residues(unsigned int num_aa)
Estimate the mass of a protein from the number of amino acids.
double get_mass_from_volume(double v, ProteinDensityReference ref=ALBER)
Estimate the mass of a protein from its volume.
double get_kd(double na, double nb, double nab, double volume)
double get_diffusion_angle(double D, double dtfs)
double get_rotational_diffusion_coefficient(const algebra::Rotation3Ds &displacements, double dt)
double get_volume_from_mass(double m, ProteinDensityReference ref=ALBER)
Estimate the volume of a protein from its mass.
A decorator for Residues.
double get_molarity(double n, double volume)
double get_diffusion_length(double D, double force, double t, double temp=273)
double get_diffusion_coefficient(const algebra::Vector3Ds &displacements, double dt)
double get_einstein_diffusion_coefficient(double r)