On Fri, Nov 25, 2011 at 8:46 AM, Victor Eduardo Bahamonde Padilla <[email protected]> wrote: > Hello > Is there any way to see the value of the atomic charges on each atom of the > molecule displayed as gaussview?
Click "Display Settings" and check "Label", then open the label configuration dialog. In Atom Labels --> Text there are Formal Charge and Partial Charge options. However, I don't see an way to set the formal charges, other than to read them in from a calculation or enter them manually under View --> Properties --> Atom Properties. Does anyone know of a way to perceive them? This sounds like something OpenBabel should be able do. Dave ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ Avogadro-Discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
