mod_pdb_type::type_pdb_file Type Reference

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

Collaboration diagram for mod_pdb_type::type_pdb_file:

Public Attributes
integer	nlines
	Number of lines in pdb file. More...
integer, dimension(:), allocatable	record
	Flag for record type, 1 = ATOM, 2 = HETATM. More...
real(kind=8), dimension(:,:), allocatable	coord
	Position, occupancy and temp factor - can be used to store other data eg in pqr. More...
real(kind=8), dimension(:), allocatable	occ
real(kind=8), dimension(:), allocatable	beta
character(len=4), dimension(:), allocatable	atomname
	Atom name, res name and chain name. More...
character(len=3), dimension(:), allocatable	resname
character, dimension(:), allocatable	chain
integer, dimension(:), allocatable	atomid
	Atom and residue numbers. More...
integer, dimension(:), allocatable	resid
logical	inc_radii
	Has accessibility been calculated and radii assigned. More...
logical	inc_access

Detailed Description

Data type for storing binned data (eg. Radial distribution functions)

Member Data Documentation

atomid

integer, dimension (:), allocatable mod_pdb_type::type_pdb_file::atomid

Atom and residue numbers.

atomname

character (len=4), dimension (:), allocatable mod_pdb_type::type_pdb_file::atomname

Atom name, res name and chain name.

beta

real (kind=8), dimension (:), allocatable mod_pdb_type::type_pdb_file::beta

chain

character, dimension (:), allocatable mod_pdb_type::type_pdb_file::chain

coord

real (kind=8), dimension (:,:), allocatable mod_pdb_type::type_pdb_file::coord

Position, occupancy and temp factor - can be used to store other data eg in pqr.

inc_access

logical mod_pdb_type::type_pdb_file::inc_access

inc_radii

logical mod_pdb_type::type_pdb_file::inc_radii

Has accessibility been calculated and radii assigned.

nlines

integer mod_pdb_type::type_pdb_file::nlines

Number of lines in pdb file.

occ

real (kind=8), dimension (:), allocatable mod_pdb_type::type_pdb_file::occ

record

integer, dimension (:), allocatable mod_pdb_type::type_pdb_file::record

Flag for record type, 1 = ATOM, 2 = HETATM.

resid

integer, dimension (:), allocatable mod_pdb_type::type_pdb_file::resid

resname

character (len=3), dimension (:), allocatable mod_pdb_type::type_pdb_file::resname

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The documentation for this type was generated from the following file:

• tools/mod_pdb_type.f90