Hi all, This is my first post to here. I'm a physicist in Japan and having fun with Avogadro a lot!
I have several questions about Avogadro2. (I afraid that it is suitable here. Should I post to devel? ) Today, I tried Avogadro2 first time, and had difficulties. 1) I could not find "Align tool". Where is it? I utilize it very often. So, it is necessary for me. To tell the truth, I want to align three atoms in a plane. Do we have such a function in Avogadro2? 2)Can I display surface of molecular orbital in a cube file? I could open cube file, and I could see "ball and stick". But, I could not display orbital in it. How can I do it? I could not find "Create surface" in Extensions menu. 3)Why there is no button for "Optimize geometry"? I think this function is used frequently, since molecule created by hand at the beginning has a nonsense geometry. So, it is better to have a button for it, I think. At least, it should be top level in menu. In addition, why is it categorized in "Open Babel"? To my understand, OB is a collection of converter of format but is not a semi-empirical MO nor a molecular mechanics. Hence, current menu design looks strange to me. Sorry for sudden asking. Thanks. Best, Taka ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
