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<?xml version="1.0" encoding="UTF-8"?>
<package packagerversion="1.9.0" version="2.0" xmlns="http://pear.php.net/dtd/package-2.0" xmlns:tasks="http://pear.php.net/dtd/tasks-1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://pear.php.net/dtd/tasks-1.0 http://pear.php.net/dtd/tasks-1.0.xsd http://pear.php.net/dtd/package-2.0 http://pear.php.net/dtd/package-2.0.xsd">
<name>Science_Chemistry</name>
<channel>pear.php.net</channel>
<summary>Classes to manipulate chemical objects: atoms, molecules, etc.</summary>
<description>General classes to represent Atoms, Molecules and Macromolecules. Also
parsing code for PDB, CML and XYZ file formats. Examples of parsing and
conversion to/from chemical structure formats. Includes a utility class with
information on the Elements in the Periodic Table.</description>
<lead>
<name>Jesus M. Castagnetto</name>
<user>jmcastagnetto</user>
<email>jmcastagnetto@php.net</email>
<active>yes</active>
</lead>
<date>2010-10-04</date>
<time>23:24:02</time>
<version>
<release>1.1.1</release>
<api>1.1.0</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
QA release
Bug #895 PEAR QA: improvement for get_class()-usage jmcastagnetto
Bug #4493 forgotten $this-&gt; jmcastagnetto
Added PHPUnit test coverage (fragile)
Fixed undefined constant bugs
</notes>
<contents>
<dir baseinstalldir="/" name="/">
<file baseinstalldir="/" md5sum="b53156e4d38b7484c491dc777eadb687" name="Science/Chemistry.php" role="php" />
<file baseinstalldir="/" md5sum="67d0b6433236025e7e21826b051af63b" name="Science/Chemistry/Atom.php" role="php" />
<file baseinstalldir="/" md5sum="d708ed9c82f7160c2ddab8e20743f959" name="Science/Chemistry/Atom_PDB.php" role="php" />
<file baseinstalldir="/" md5sum="affaf89d7790016a13204e4d9d8acdac" name="Science/Chemistry/Coordinates.php" role="php" />
<file baseinstalldir="/" md5sum="d82e30c2dfd590f9d2f1a5ef147f7fd1" name="Science/Chemistry/Element.php" role="php" />
<file baseinstalldir="/" md5sum="7ce021dbde3aca3ed34bc3470e127ca3" name="Science/Chemistry/Macromolecule.php" role="php" />
<file baseinstalldir="/" md5sum="194a57637903ad62f7e36142824cf528" name="Science/Chemistry/Macromolecule_PDB.php" role="php" />
<file baseinstalldir="/" md5sum="d7bf73cda807f94338c4b8a8cf0949f4" name="Science/Chemistry/Molecule.php" role="php" />
<file baseinstalldir="/" md5sum="9060012adb8da7389cdaf018aca26dd0" name="Science/Chemistry/Molecule_XYZ.php" role="php" />
<file baseinstalldir="/" md5sum="c8d9ec79b0798f9ad99e68f973105a95" name="Science/Chemistry/PDBFile.php" role="php" />
<file baseinstalldir="/" md5sum="f91134d30d3c63ec7d62e8359107a841" name="Science/Chemistry/PDBParser.php" role="php" />
<file baseinstalldir="/" md5sum="6c696f01291a7f59c6cf3b885ca05f5d" name="Science/Chemistry/Periodic_Table.php" role="php" />
<file baseinstalldir="/" md5sum="a11d456b5c70d0295926b40be09dcd14" name="Science/Chemistry/Residue_PDB.php" role="php" />
<file baseinstalldir="/" md5sum="238b18d85d4124a3f9e7348201870475" name="tests/1hca.pdb" role="test" />
<file baseinstalldir="/" md5sum="882cecdf6ba0d9ce7d24b0a4fc6b9982" name="tests/his.pdb" role="test" />
<file baseinstalldir="/" md5sum="25670ca3d81af6927c8c9d1b7e937612" name="tests/his.xyz" role="test" />
<file baseinstalldir="/" md5sum="433614f6361f7342886f5a759f47ab4a" name="tests/lys.pdb" role="test" />
<file baseinstalldir="/" md5sum="9be1b1bf79bbe625dc26dd6a789f9e99" name="tests/lys.xyz" role="test" />
<file baseinstalldir="/" md5sum="2e51840b04ca27c6f37a7320e2dc5928" name="tests/pdb2xyz.php" role="test" />
<file baseinstalldir="/" md5sum="35781ca78b7c8bf5f8d42179674d5c6b" name="tests/Science_ChemistryTest.php" role="test" />
<file baseinstalldir="/" md5sum="2b0c30fcea023c2e8828724941b4c11a" name="tests/Science_Chemistry_PDBFileTest.php" role="test" />
<file baseinstalldir="/" md5sum="e418f504d86d4f3f67e7f897a655906e" name="tests/small.pdb" role="test" />
<file baseinstalldir="/" md5sum="63386d4e5fa298b25ea8f25bf06b94e5" name="tests/water.cml" role="test" />
<file baseinstalldir="/" md5sum="4d08817a118dd4677aeeb8f9c7a41598" name="tests/xyz2cml.php" role="test" />
<file baseinstalldir="/" md5sum="9cb2b8101724c93a92d2f7b44e4fa88e" name="README" role="data" />
<file baseinstalldir="/" md5sum="0855b1a3b2520754d7ee0a15b23e1b0f" name="TODO" role="data" />
</dir>
</contents>
<dependencies>
<required>
<php>
<min>4.0.0</min>
</php>
<pearinstaller>
<min>1.4.0b1</min>
</pearinstaller>
</required>
</dependencies>
<phprelease />
<changelog>
<release>
<version>
<release>1.0</release>
<api>1.0</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<date>2002-04-22</date>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
This is the initial release of the classes after conversion to PEAR
standards.
Includes tests/examples of use and PHPDoc generated documentation.
On 2001-08-26 renamed to conform to new PEAR directory structure.
</notes>
</release>
<release>
<version>
<release>1.0.1</release>
<api>1.0.1</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<date>2002-04-23</date>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
Fixed an install problem. It should now install properly on
$PEAR/Science/Chemistry
</notes>
</release>
<release>
<version>
<release>1.0.2</release>
<api>1.0.2</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<date>2002-04-23</date>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
Fixed package.xml to be able to install the test scripts
</notes>
</release>
<release>
<version>
<release>1.0.3</release>
<api>1.0.3</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<date>2002-07-30</date>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
Change calls to &quot;new Element()&quot; to the current
&quot;new Science_Chemistry_Element()&quot;
</notes>
</release>
<release>
<version>
<release>1.1.0</release>
<api>1.1.0</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<date>2003-05-12</date>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
Modified the parsing algorithm for atom records in a residue
Added toXYZ() methods, and made toString() aliases of those
Added one more example for converting PDB to XYZ
</notes>
</release>
<release>
<version>
<release>1.1.1</release>
<api>1.1.0</api>
</version>
<stability>
<release>stable</release>
<api>stable</api>
</stability>
<date>2010-10-04</date>
<license uri="http://www.php.net/license">PHP License</license>
<notes>
QA release
Bug #895 PEAR QA: improvement for get_class()-usage jmcastagnetto
Bug #4493 forgotten $this-&gt; jmcastagnetto
Added PHPUnit test coverage (fragile)
Fixed undefined constant bugs
</notes>
</release>
</changelog>
</package>
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