mod_array_protein.f90 File Reference

Define an array where all proteins are stored. More...

Data Types
type	mod_array_protein::array_protein_type
	Main class which owns all subgroups : protein and sogrid, see UMLshema_archi. More...

Modules
module	mod_array_protein
	Module to define an array of proteins.

Functions/Subroutines
subroutine	mod_array_protein::new_array_protein (this, size, nb_grids)
	Allocate the arrays.
subroutine	mod_array_protein::delete_array_protein (this, opt_copy_omp)
	Deallocate arrays array and set_of_protein.
subroutine	mod_array_protein::copy_array_protein (this, ptab_dest, type_calc, param_metaldesolv)
	Make a copy of the array.
integer function	mod_array_protein::get_type (this, prot_nb)
	Function to get the protein type.
subroutine	mod_array_protein::print_info_array_protein (this, opt_check_associated)
	Print array information.

Detailed Description

Define an array where all proteins are stored.

Version

{version 7.2.3 (2019)}

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References: see also http://mcm.h-its.org/sda7/do:c/doc_sda7/references.html:

Brownian dynamics simulation of protein-protein diffusional encounter. (1998) Methods, 14, 329-341.

SDA 7: A modular and parallel implementation of the simulation of diffusional association software. Journal of computational chemistry 36.21 (2015): 1631-1645.

Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, X. Yu, M. Ozboyaci, M. Reinhardt, P. Friedrich, R.R.Gabdoulline, S.Richter and R.C.Wade

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