The Two Great Traditions
Break the molecule into standard fragments and list standard geometry for each fragment type.
- Examples are Alanine, Adenine, and ATP
- You must also define the links between fragments.
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Label each atom as a particular chemical type and define the bond lengths and angles for each combination of chemical type.
- Examples are sp3 hybridized carbon, double bonded oxygen, and sulfur
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The main problem is locating values for the standard values