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General classes to represent Atoms, Molecules and Macromolecules, including parsing code for PDB, CML and XYZ file formats.
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Science
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README.md

Science_Chemistry

General classes to represent Atoms, Molecules and Macromolecules. Includes parsing code for PDB, CML and XYZ file formats as well as examples of parsing and conversion to/from chemical structure formats.

There is also a utility class with information on the Elements in the Periodic Table.

To install the package from source code you need to do the following

$ pear package package.xml

This will result in a file called Science_Chemistry-1.0.tgz that you have to install:

$ pear install Science\_Chemistry-1.0.tgz

Now you are all set

Author: Jesus M. Castagnetto

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