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| <?xml version="1.0" encoding="ISO-8859-1" ?> | ||
| <!DOCTYPE package SYSTEM "http://pear.php.net/dtd/package-1.0"> | ||
| <package version="1.0"> | ||
| <name>Science_Chemistry</name> | ||
| <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> | ||
| <maintainers> | ||
| <maintainer> | ||
| <user>jmcastagnetto</user> | ||
| <name>Jesus M. Castagnetto</name> | ||
| <email>jmcastagnetto@php.net</email> | ||
| <role>lead</role> | ||
| </maintainer> | ||
| </maintainers> | ||
| <license>PHP License</license> | ||
| <?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-> 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="39636c7e57aae85ff8e0b669337f5029" name="tests/AllTests.php" role="test" /> | ||
| <file baseinstalldir="/" md5sum="882cecdf6ba0d9ce7d24b0a4fc6b9982" name="tests/his.pdb" role="test" /> | ||
| <file baseinstalldir="/" md5sum="25670ca3d81af6927c8c9d1b7e937612" name="tests/his.xyz" role="test" /> | ||
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| <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>1.1.0</version> | ||
| <date>2003-05-12</date> | ||
| <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> | ||
| <state>stable</state> | ||
| <filelist> | ||
| <dir name="/" baseinstalldir="Science"> | ||
| <file role="php">Chemistry.php</file> | ||
| <dir name="Chemistry"> | ||
| <file role="doc">README</file> | ||
| <file role="doc">TODO</file> | ||
| <file role="php">Atom_PDB.php</file> | ||
| <file role="php">Atom.php</file> | ||
| <file role="php">Coordinates.php</file> | ||
| <file role="php">Element.php</file> | ||
| <file role="php">Macromolecule_PDB.php</file> | ||
| <file role="php">Macromolecule.php</file> | ||
| <file role="php">Molecule.php</file> | ||
| <file role="php">Molecule_XYZ.php</file> | ||
| <file role="php">PDBFile.php</file> | ||
| <file role="php">PDBParser.php</file> | ||
| <file role="php">Periodic_Table.php</file> | ||
| <file role="php">Residue_PDB.php</file> | ||
| <dir name="test" role="data"> | ||
| <file role="php">testChem.php</file> | ||
| <file role="php">testPDB.php</file> | ||
| <file role="php">xyz2cml.php</file> | ||
| <file role="php">pdb2xyz.php</file> | ||
| <file role="data">1hca.pdb</file> | ||
| <file role="data">his.pdb</file> | ||
| <file role="data">his.xyz</file> | ||
| <file role="data">lys.pdb</file> | ||
| <file role="data">lys.xyz</file> | ||
| <file role="data">small.pdb</file> | ||
| <file role="data">water.cml</file> | ||
| </dir> | ||
| </dir> | ||
| </dir> | ||
| </filelist> | ||
| <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> | ||
| <changelog> | ||
| <release> | ||
| <version>1.1.0</version> | ||
| <date>2003-05-12</date> | ||
| <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> | ||
| <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>1.0.3</version> | ||
| <date>2002-07-30</date> | ||
| <notes> | ||
| Change calls to "new Element()" to the current | ||
| "new Science_Chemistry_Element()" | ||
| </notes> | ||
| </release> | ||
| <release> | ||
| <version>1.0.2</version> | ||
| <date>2002-04-23</date> | ||
| <notes> | ||
| Fixed package.xml to be able to install the test scripts | ||
| </notes> | ||
| </release> | ||
| <release> | ||
| <version>1.0.1</version> | ||
| <date>2002-04-23</date> | ||
| <notes> | ||
| Fixed an install problem. It should now install properly on | ||
| $PEAR/Science/Chemistry | ||
| </notes> | ||
| </release> | ||
| <release> | ||
| <version>1.0</version> | ||
| <date>2002-04-22</date> | ||
| <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> | ||
| </changelog> | ||
| <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 "new Element()" to the current | ||
| "new Science_Chemistry_Element()" | ||
| </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-> jmcastagnetto | ||
| Added PHPUnit test coverage (fragile) | ||
| Fixed undefined constant bugs | ||
| </notes> | ||
| </release> | ||
| </changelog> | ||
| </package> |