On Mon, Apr 4, 2011 at 10:03 AM, David Lonie <[email protected]> wrote: > On Sun, Apr 3, 2011 at 10:47 PM, Marcus D. Hanwell > <[email protected]> wrote: >>> Thank you for the development of a visualizer. >>> I use the git version of avogadro. From GUI, is it possible to add >>> bonds of crystal structure after loading a crystal structure. >>> >> The supercell builder does some of this, and there is a new crystal builder >> extension that will be merged soon (not sure if that has the simple bonding >> ported from the supercell builder yet). > > The new extension does not do this yet, but I will add this feature to > my todo list. I would like the ability to automatically construct > bonds based on interatomic distance, so I may work up an interface for > this as well.
The code to do that bonding can be taken from the supercell builder, I hardwired the fudge factor (standard number used in inorganic crystals on top of atomic radii) but it would not be hard to expose that in an interface. I think it would be a great addition, but we should merge what you have soon. I was away at the ACS meeting, and before that another meeting, but am back now and will be catching up over the next day or so. Marcus -- Marcus D. Hanwell, Ph.D. R&D Engineer, Kitware Inc. (518) 881-4937 ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ Avogadro-Discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
