Overview

Science_Chemistry

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.

This is old code I wrote for PEAR. Originally it was tracked in CVS, then it was moved to SVN, and now I am importing it to git :-)

-- Jesus M. Castagnetto