Rendering of electron-ionized structures (plus-dot charge)

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cmr....@gmail.com

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Apr 12, 2012, 3:36:31 PM4/12/12
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First of all, thanks for a great library! Among available chemistry libs Indigo seems to be the best, at least concerning the molecule rendering.

However there is still room for improvement ;-) In attachment is an ionized molecule of chlorobenzoyl. Please note that Cl atom has +1 formal charge and mono radical. Such combination is conventionally used to encode odd electron count; the atom charge should be displayed as "+∙" (see i.e. http://en.wikipedia.org/wiki/Electron_ionization). The combination of formal charge -1 and radical is also special and should be displayed as "-∙". Molecules with such "charge" are important in mass spectrometry.

Best wishes,
Andrey Paramonov

test.mol

Mikhail Kozhevnikov

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Apr 16, 2012, 9:04:44 AM4/16/12
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Dear Andrey,

Thanks for your suggestion, we'll look into this.

Regards, 
Mikhail
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