IMP Reference Guide
2.11.0
The Integrative Modeling Platform
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Estimates of various physical quantities. More...
Go to the source code of this file.
Namespaces | |
IMP | |
Base functionality and abstract base classes for representation, scoring and sampling. | |
IMP::atom | |
Functionality for loading, creating, manipulating and scoring atomic structures. | |
Functions | |
double | IMP::atom::get_diffusion_angle (double D, double dtfs) |
double | IMP::atom::get_diffusion_coefficient (const algebra::Vector3Ds &displacements, double dt) |
double | IMP::atom::get_diffusion_coefficient (const algebra::Vector3Ds &displacements, const Floats &dts) |
double | IMP::atom::get_diffusion_length (double D, double t) |
double | IMP::atom::get_diffusion_length (double D, double force, double t, double temp=-1) |
double | IMP::atom::get_einstein_diffusion_coefficient (double r, double temp=-1) |
double | IMP::atom::get_einstein_rotational_diffusion_coefficient (double r, double temp=-1) |
double | IMP::atom::get_kd (double na, double nb, double nab, double volume) |
double | IMP::atom::get_molarity (double n, double volume) |
double | IMP::atom::get_rotational_diffusion_coefficient (const algebra::Rotation3Ds &orientations, double dt) |
Estimator Functions | |
These functions allow you to estimate physical quantities relating to biomolecules. | |
enum | IMP::atom::ProteinDensityReference { ALBER, HARPAZ, ANDERSSON, TSAI, QUILLIN, SQUIRE } |
double | IMP::atom::get_protein_density_from_reference (ProteinDensityReference densityReference) |
double | IMP::atom::get_volume_from_mass (double m, ProteinDensityReference ref=ALBER) |
Estimate the volume of a protein from its mass. More... | |
double | IMP::atom::get_mass_from_volume (double v, ProteinDensityReference ref=ALBER) |
Estimate the mass of a protein from its volume. More... | |
double | IMP::atom::get_mass_from_number_of_residues (unsigned int num_aa) |
Estimate the mass of a protein from the number of amino acids. More... | |
double | IMP::atom::get_volume_from_residue_type (ResidueType rt) |
Return an estimate for the volume of a given residue. More... | |
Energy conversions | |
double | IMP::atom::get_energy_in_femto_joules (double energy_in_kcal_per_mol) |
double | IMP::atom::get_force_in_femto_newtons (double force_in_kcal_per_mol_per_angstrom) |
Convert force from kcal/mol/A to femtonewtons. More... | |
double | IMP::atom::get_spring_constant_in_femto_newtons_per_angstrom (double k_in_kcal_per_mol_per_angstrom_square) |
Convert spring constant from kcal/mol/A^2 to femtonewton/A. More... | |
Estimates of various physical quantities.
Copyright 2007-2019 IMP Inventors. All rights reserved.
Definition in file estimates.h.