Rapid comparison of protein structures

McLachlan, A.D.

doi:10.1107/S0567739482001806

Rapid comparison of protein structures

An unusually fast method of superposing two sets of atomic coordinates for related molecular structures by least squares is described. It exploits the special nature of the problem and uses the method of conjugate gradients. The calculation takes about 0.003 s and is fast enough to be used in on-line graphics systems.

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Rapid comparison of protein structures

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