Class: Science_Chemistry_Macromolecule_PDB

Source Location: /Science_Chemistry-1.1.2/Science/Chemistry/Macromolecule_PDB.php

Science_Chemistry_Macromolecule
   |
   --Science_Chemistry_Macromolecule_PDB

Represents a PDB macromolecule, composed of several Science_Chemistry_Residue_PDB objects

Science_Chemistry_Macromolecule::Science_Chemistry_Macromolecule(): Constructor for the class, requires a macromolecule name and an optional array of Science_Chemistry_Molecule objects
Science_Chemistry_Macromolecule::addMolecule(): Adds a Science_Chemistry_Molecule object to the list of molecules in the macromolecule
Science_Chemistry_Macromolecule::getMolecules(): Returns an array of Science_Chemistry_Molecule objects
Science_Chemistry_Macromolecule::initMacromolecule(): Initializes the array of Science_Chemistry_Molecule objects
Science_Chemistry_Macromolecule::isMacromolecule(): Checks if the object is an instance of Science_Chemistry_Macromolecule
Science_Chemistry_Macromolecule::toCML(): Returns a CML representation of the molecule Accepts an optional id, and a flag to signal printing of the connection table
Science_Chemistry_Macromolecule::toString(): Returns a string representation of the macromolecule as a multiple molecule XYZ-format file Alias of toXYZ()
Science_Chemistry_Macromolecule::toXYZ(): Returns a string representation of the macromolecule as a multiple molecule XYZ-format file

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Represents a PDB macromolecule, composed of several Science_Chemistry_Residue_PDB objects

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object Science_Chemistry_Macromolecule_PDB Science_Chemistry_Macromolecule_PDB(
string
$pdb, array
$records, [object PDBFile
$pdbfile = ""])

Constructor for the class

string	`$pdb`	—	PDB ID of the containing file
array	`$records`	—	Array of lines comprising the macromolecule
object PDBFile	`$pdbfile`	—	reference to the PDB file object

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