Chapter 7.  Tutorial

Table of Contents

Units
Geometry
Species
Parameters
Reactions
Result

This chapter describes how one would go about to put the model from the section called “ An introductory Example ” into a valid SBML definition that can be used with MesoRD. Note that we will construct a complete model definition as we go along. The SBML file is also included in the distribution as tutorial.xml.

Units

Before we begin the actual definition, we must set the stage with a few lines as given in the section called “ General SBML Structure ”. The first line tells the parser that we are dealing with an UTF-8 encoded XML file. The line that begins with <sbml will qualify all un-prefixed names using the SBML URI given in the xmlns attribute. The additional attributes state that we are dealing with level 2 ,version 4 of SBML. The model element type, or tag, marks the beginning of the model.

<?xml version="1.0" encoding="UTF-8"?>
<sbml xmlns="http://www.sbml.org/sbml/level2/version4" level="2" version="4">
<model name="MesoRD Tutorial System">
    

Now we can begin the model definition. To prepare for what will come, we will define a few units which will be useful in later definitions.

<listOfUnitDefinitions>

  <unitDefinition id="um">
    <listOfUnits>
      <unit kind="metre" scale="-6"/>
    </listOfUnits>
  </unitDefinition>

  <unitDefinition id="pMps">
    <listOfUnits>
      <unit kind="mole" exponent="-1"/>
      <unit kind="litre" exponent="+1"/>
      <unit kind="second" exponent="-1"/>
    </listOfUnits>
  </unitDefinition>

  <unitDefinition id="cm2ps">
    <listOfUnits >
      <unit kind="metre" exponent="2" scale="-2"/>
      <unit kind="second" exponent="-1"/>
    </listOfUnits>
  </unitDefinition>

  <unitDefinition id="ps">
    <listOfUnits>
      <unit kind="second" exponent="-1"/>
    </listOfUnits>
  </unitDefinition>
</listOfUnitDefinitions>
    

The above lines define four units.

  • The unit pMps defines the unit "per molar per second". This unit will be used in the definition of the association rate constant.

  • The unit cm2ps defines the unit "centimetre squared per second". This unit will be used in the definition of the diffusion constants.

  • The unit ps defines the unit "per second". We will use this unit to define the rate constants for the reactions in the system.

  • Finally, the um unit is defined equal to one micrometre. This will be useful in the specification of the geometry of the system.