Concentration computations for RNA-RNA interactions. More...
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Data Structures | |
struct | vrna_dimer_conc_s |
Data structure for concentration dependency computations. More... | |
Functions | |
vrna_dimer_conc_t * | get_concentrations (double FEAB, double FEAA, double FEBB, double FEA, double FEB, double *startconc) |
Given two start monomer concentrations a and b, compute the concentrations in thermodynamic equilibrium of all dimers and the monomers. | |
Concentration computations for RNA-RNA interactions.
vrna_dimer_conc_t * get_concentrations | ( | double | FEAB, |
double | FEAA, | ||
double | FEBB, | ||
double | FEA, | ||
double | FEB, | ||
double * | startconc | ||
) |
Given two start monomer concentrations a and b, compute the concentrations in thermodynamic equilibrium of all dimers and the monomers.
This function takes an array 'startconc' of input concentrations with alternating entries for the initial concentrations of molecules A and B (terminated by two zeroes), then computes the resulting equilibrium concentrations from the free energies for the dimers. Dimer free energies should be the dimer-only free energies, i.e. the FcAB entries from the vrna_dimer_pf_t struct.
FEAB | Free energy of AB dimer (FcAB entry) |
FEAA | Free energy of AA dimer (FcAB entry) |
FEBB | Free energy of BB dimer (FcAB entry) |
FEA | Free energy of monomer A |
FEB | Free energy of monomer B |
startconc | List of start concentrations [a0],[b0],[a1],[b1],...,[an][bn],[0],[0] |