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单词 Molecular Graphics
释义

Molecular Graphics

英语百科

Molecular graphics

Fig. 1. Key: Hydrogen = white, carbon = grey, nitrogen = blue, oxygen = red, and phosphorus = orange.
Fig. 2. Image of hemagglutinin with alpha helices depicted as cylinders and the rest of the chain as silver coils. The individual protein molecules (several thousand) have been hidden. All of the non-hydrogen atoms in the two ligands (presumably sialic acid) have been shown near the top of the diagram. Key: Carbon = grey, oxygen = red, nitrogen = blue.
Fig. 4. Space-filling model of formic acid. Key: Hydrogen = white, carbon = black, oxygen = red.

Molecular graphics (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation. IUPAC limits the definition to representations on a "graphical display device". Ever since Dalton's atoms and Kekulé's benzene, there has been a rich history of hand-drawn atoms and molecules, and these representations have had an important influence on modern molecular graphics. This article concentrates on the use of computers to create molecular graphics. Note, however, that many molecular graphics programs and systems have close coupling between the graphics and editing commands or calculations such as in molecular modelling.

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