Wednesday, April 01, 2015

Does the type of chemical bond (single, double, triple), built by JSME Molecular Editor, directly influence on the final result of ATB builder (http://compbio.biosci.uq.edu.au/atb/), not by number of built protons? 
I built a molecule with a some double bond, number of protons is correct, however finally ATB's "Show structure" option shows this bond as a single bond, however number of protons there as for a double bond. 
Is it an error of visualization only or built topology files have errors?
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