SDA (SDA flex)  7.2
Simulation of Diffusional Association
Data Types | Modules | Functions/Subroutines
mod_pdb_type.f90 File Reference

Data Types

type  mod_pdb_type::type_pdb_file
 Data type for storing binned data (eg. Radial distribution functions) More...
 

Modules

module  mod_pdb_type
 Module to define a pdb type and pdb reading and writing routine for tools. prepare_atom_protein routine has poor modularity making use in tools difficult. – could be merged later – need to add into protein object structure.
 

Functions/Subroutines

subroutine mod_pdb_type::allocate_pdb_object (this, nlines)
 Create a new histogram instance. More...
 
integer function mod_pdb_type::size_pdb (pdb_file)
 Function that runs through lines of a PDB file and calculates the number of ATOM or HETATM records which is returned. More...
 
subroutine mod_pdb_type::fill_pdb_object (this, pdb_file)
 
subroutine mod_pdb_type::vdw_pdb_object (this)
 
subroutine mod_pdb_type::access_pdb_object (this, probe)
 
subroutine mod_pdb_type::write_pdb_file_object (this, irecord)
 Subroutine to write a pdb file. The format of the file created matches standard PDB columns, except that occupancy and b factor columns are widened. More...
 
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