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.
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.
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.