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1hca.pdb
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Code Editor : pdb2xyz.php
<?php // Example of converting from PDB for XYZ set_time_limit(0); require_once "Science/Chemistry/PDBFile.php"; $file = new Science_Chemistry_PDBFile($argv[1]); for ($j=0; $j < $file->num_macromolecules; $j++) { $macromol =& $file->macromolecules[$j]; // use the builtin method for the macromolecule echo $macromol->toXYZ(); // for more control on the printing /* foreach ($macromol->molecules as $mol) { echo $mol->toXYZ(); $mol->printConnectionTable(); $mol->printDistanceMatrix(); } */ } ?>
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