All the XML files containing the thermodynamic parameters are in the Data folder. In each
file, I put the data set of a scientific article or I collected the complementary data set
of several articles.
I have used the name data for the main node of each XML file. The name of a data
subnode is choosen depending on the structure and the model they are made for. You can see the different
existing subnode and existing attributes in the following section.
The enthalpy and entropy value are in cal/mol and are put as character of the subsubnodes enthalpy
and entropy. (see the following example)
<data type="crick"> <neighbor sequence="AA/TT"> <enthalpy>-7900.0</enthalpy> <entropy>-22.2</entropy> </neighbor> <neighbor sequence="AC/TG"> <enthalpy>-8400.0</enthalpy> <entropy>-22.4</entropy> </neighbor> [...] <initiation type="per-G/C"> <enthalpy>100.0</enthalpy> <entropy>-2.8</entropy> </initiation> <symmetry> <enthalpy>0.0</enthalpy> <entropy>-1.4</entropy> </symmetry> </data>
Each enthalpy and entropy value are stocked into a Thermodynamics object. (see the Javadoc for the Thermodynamics class from melting package)