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- <?php
- set_time_limit(0);
-
- require "Science/Chemistry/PDBFile.php";
- $file = new Science_Chemistry_PDBFile("small.pdb");
- //$file = new Science_Chemistry_PDBFile("1hca.pdb");
- for ($j=0; $j < $file->num_macromolecules; $j++) {
- $mol =& $file->macromolecules[$j];
- echo $mol->toCML("model", ($j + 1));
- /*
- for ($i=0; $i < $mol->num_molecules; $i++) {
- echo $mol->molecules[$i]->id." - atoms: ";
- echo $mol->molecules[$i]->num_atoms."\n";
- }
- */
- echo "\n================\n\n";
- }
-
- ?>
-