Abstract

A retrospective view of the design and evolution of Chemical Markup Language (CML) is presented by its original authors.

Highlights

  • A retrospective view of the design and evolution of Chemical Markup Language (CML) is presented by its original authors

  • I couldn’t use these with my analysis code. This burgeoning of portable chemical computational systems had began in the early 1980s with a number of software products, mainly codes and datafiles, being developed for the molecular graphics and computational chemistry community

  • It seemed completely wasteful not to have a common format, so I started an activity within the Molecular Graphics Society [6] to systematize file types

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Summary

13. Hückel E

Quantum theoretical contributions to the problem of aromatic and non-saturated compounds. Dewar MJS: A Molecular Orbital Theory of Organic Chemistry. Hout RF Jr, Pietro WJ, Hehre WJ: Orbital photography.

20. Brown ID
Findings
26. Rzepa HS
Full Text
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