Extending the V3000 Molfile Format with User-Specified Collections
Richard L. Apodaca · 2023
Two versions of the widely-used molfile format exist: V2000 and V3000. As noted previously, the V3000 format introduces several capabilities not present in its predecessor. One of them allows the arbitrary grouping and tagging of certain kinds of features. The documentation hints at this grouping and tagging as a V3000 extension mechanism, but how would that work in practice? This article takes a closer look at the question.