From: Egon W. <eg...@sc...> - 2003-12-13 17:33:14
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On Saturday 13 December 2003 12:24, Miguel Howard wrote: > I am in the process of adding support for aromatic bonds in Jmol. These > questions are about graphical representations for aromatic bonds. > > > I believe that the normal way to represent aromatic bonds is to have a > solid line and a dashed/broken line. With this representation, the dashed > line/cylinder is on the *inside* of the ring. > > Q: Does this kind of representation have a name? Don't know. > Q: If a bond participates in more than one aromatic ring, is there a > 'correct' side to put the dotted line on? JChemPaint shows it only on one side I think, either one, does not matter, really... but I think it would be nicer to have it dotted on both sides... so the the dots show a sort of inner ring... > The other representation I have seen is single solid lines with a circle > in the center. Yes, that's a common alternative, which JCP has too... > Q: Does this kind of representation have a name? Dunno either... > I have been told that this format is 'less acceptable' to some > publications and perhaps standards-organizations. Perhaps because it gives > wrong impression for bonds that participate in more than one aromatic > ring. > > Q: Is it true that this graphical rendering is less acceptable to > publishers/international standards organizations? I'll get back to this... Peter (if you're reading this), what was the site again with recommendations on how to draw things, 2D mostly, but seems applicable to these questions... could no longer find it... > Q: For the purposes of Jmol, do we care? I'm not sure if Jmol is used for making publication ready graphics... I think there are better programs for that, e.g. Povray... > Both of these representations require me to calculate the 'inside' of the > ring. In my search for a simple solution ... What's wrong with the center of mass? > Q: Is there an acceptable graphical representation for aromatic bonds that > does not require me to calculate the inside of the ring? I guess you even need it for inner ring dotted bonds... Egon |