Volume 1 Chapter 5 Screen Searches in Graphics QUEST3D

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5.1.4 Chemical Formula Searches

Two commands, ELEMENTS and FORMULAE, are available in the SEARCH menu shown in below.

Their functions are:

Full details of these commands are given in chapter 10 of Vol.2.

Ex.1 Suppose we wish to find all entries containing only the elements C, H and Sn.

Ex.2 Suppose we wish to find all entries containing more than 6 chlorine atoms summed over all residues in the formula.

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Volume 1 Chapter 5 Unit Cell Matching Searches in Graphics QUEST3D.