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From 2010.igem.org

BERKELY DBXML 2.5 introduction by LIAOCHEN

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JULY

• Liao Chen (7.20): Discuss framework of core programme of simulation part of our project with Jiang Hao. We decided to take consideration of the structure of complex, which solves problems we encountered when handling reactions with regard to complex molecules.
• Liao Chen (7.21): We decided to model the species (either complex or simple species) using two data structures:
  1. ChainList is used to describe chains of DNA, RNA or Protein molecules. Small molecules are also of such structure with only one element on one chain.
  2. Tree structure is used to describe binding state of elements of different chains. Children nodes bind with each other and form their parent node. Thus, other than chains, a species has its binding state forest, which composed of many trees mentioned above.