Structure Calculation
The experimentially determined restraints can be used as input for the structure calculation process. Researchers, using computer programs such as CYANA or XPLOR-NIH, attempt to satisfy as many of the restraints as possible, in addition to general properties of proteins such as bond lengths and angles. The algorithms convert the restraints and the general protein properties into energy terms, and thus tries to minimize the energy. The process results in an ensemble of structures that, if the data were sufficient to dictate a certain fold, will converge.
Read more about this topic: Nuclear Magnetic Resonance Spectroscopy Of Proteins
Famous quotes containing the words structure and/or calculation:
“One theme links together these new proposals for family policy—the idea that the family is exceedingly durable. Changes in structure and function and individual roles are not to be confused with the collapse of the family. Families remain more important in the lives of children than other institutions. Family ties are stronger and more vital than many of us imagine in the perennial atmosphere of crisis surrounding the subject.”
—Joseph Featherstone (20th century)
““To my thinking” boomed the Professor, begging the question as usual, “the greatest triumph of the human mind was the calculation of Neptune from the observed vagaries of the orbit of Uranus.”
“And yours,” said the P.B.”
—Samuel Beckett (1906–1989)