Main class which owns all subgroups : protein and sogrid, see UMLshema_archi. More...
Public Attributes | |
type(protein), dimension(:), pointer | array |
array of pointers to proteins, not so convenient in case of muVT extension More... | |
integer | nb_grids |
Total number of grids ( as given in sda_input ) Count for different types, flexible conformations not accounted here but in flexible. More... | |
integer, dimension(:, :), pointer | set_of_protein |
store relation prot-grid in an array of size ( nb_grids, 2 ) : type number, [first prot, last prot] More... | |
integer | size_metal |
Main class which owns all subgroups : protein and sogrid, see UMLshema_archi.
Its copy/deletion will assure correct copy/deletion of the subgroups
Store pointers to all proteins
Store the type of the solute in set_of_protein eg : prot 1 - 5 type 1 ( associated to sogrid/plist_flex 1 ), prot 6 10 type 2 ( with sogrid/plist_flex 2 )
type ( protein ), dimension ( : ), pointer mod_array_protein::array_protein_type::array |
array of pointers to proteins, not so convenient in case of muVT extension
integer mod_array_protein::array_protein_type::nb_grids |
Total number of grids ( as given in sda_input )
Count for different types, flexible conformations not accounted here but in flexible.
integer, dimension ( :, : ), pointer mod_array_protein::array_protein_type::set_of_protein |
store relation prot-grid in an array of size ( nb_grids, 2 ) : type number, [first prot, last prot]
integer mod_array_protein::array_protein_type::size_metal |