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Figure 2 | Journal of Cheminformatics

Figure 2

From: mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code

Figure 2

Structure of norepinephrine, rendered with hand-written or mol2chemfig-generated chemfig code. The code in A was hand-written and uses chemfig’s dedicated syntax for specifying rings (see lines 7–14). The code in B was generated with the mol2chemfig command shown at the top; it does not use chemfig’s ring syntax but instead treats the ring much like a regular branch. Each line of code specifies one bond; the number in the line-end comment specifies the atom that this bond connects to. While the code examples use line breaks and indentation for clarity, this is not required; whitespace is insignificant to chemfig.

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