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Chemical classes - Science_Chemistry

Science_Chemistry_PDBFile

Science_Chemistry_PDBFile

Represents a PDB file, composed of one or more Science_Chemistry_Macromolecule_PDB objects

 

public class Science_Chemistry_PDBFile

Represents a PDB file, composed of one or more Science_Chemistry_Macromolecule_PDB objects

AuthorsJesus M. Castagnetto <jmcastagnetto@php.net>
Version1.0

 

Public Method Summary

object PDBFile

Science_Chemistry_PDBFile(string $filename)

Constructor for the class, requires a PDB filename
string

toCML()

Returns a CML representation of the PDB file

Private Method Summary

void

parseFile(array $arr)

Makes the arrays of all present PDB record types

Private Field Summary

string

$pdb

PDB ID
string

$file

Full path to PDB file
string

$date

PDB file's date
string

$class

PDB macromolecule(s) class
array

$meta

Array of meta records
array

$macromolecules

Array of macromolecular objects
int

$num_macromolecules

Number of molecules/subunits

Public Method Details

Science_Chemistry_PDBFile

public object PDBFile Science_Chemistry_PDBFile( string $filename )

  Constructor for the class, requires a PDB filename

Parameter
string $filename
Returns object PDBFile

;

See Also $pdb, $file

toCML

public string toCML( )

  Returns a CML representation of the PDB file
TODO

Returns string


Private Method Details

parseFile

private void parseFile( array $arr )

  Makes the arrays of all present PDB record types

Parameter
array $arr
array of lines
Returns void


Private Field Details

$pdb

private string $pdb

>><<

PDB ID


$file

private string $file

>><<

Full path to PDB file


$date

private string $date

>><<

PDB file's date


$class

private string $class

>><<

PDB macromolecule(s) class


$meta

private array $meta

>><<

Array of meta records


$macromolecules

private array $macromolecules

>><<

Array of macromolecular objects


$num_macromolecules

private int $num_macromolecules

>><<

Number of molecules/subunits



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