This release is inspired by the feedback to v1.0.0. The standard tool for chemists is ChemDraw, which has some free to use alternatives such as developing MolDraw. Therefore, some chemists suggested that it would be enormously useful if chemical structures could be imported from ChemDraw files (.cdxml or .mol). In addition, it was suggested that output of the relevant Clar structures as ChemDraw files would be a super nice feature, because this would allow users draw aromatic rings as circles and mark unpaired electrons with dots. We have implemented these features and added on-the-fly verification by a new stretchable inset presenting a 2D chemical structure formula ('H2O' button) and 3D ball & stick model ('cube' button) as shown in Figs. 1 and 2 below. These apparently simple changes, however, forced us to significantly revise the interface using minimalistic style to adjust more controllers into a limited space. Given these changes, we also re-brand the GUI as CSF that still stands for ClarStructureFinder. Finally, we have added a mouse tool that drops several vertices in a single click of the mouse left button, which facilitates building of regular polygons up to an octagon. Before dropping vertices, the polygons can be rotated by holding the mouse right button pressed.
Fig. 1: The 2D structural formula accompanying kekulene molecule analysis.
Fig. 2: The 3D representation of the kekulene molecule Clar's structure spanning the whole canvas.
