From: eric h. <eri...@un...> - 2010-09-16 16:44:11
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Dear Geoff, Thanks for your answer. We are currently developping the Wiimote extension (Michael Gadroy has been working on that for 8 months in our lab., and most of the manipulation, rotation, selection, construction, measure tools have been coded that will be made available in a few weeks for Avogadro users) that employs the Avogadro possibilities. We would like also to implement this building possibility. Concerning the interface that could be envisaged : 1) after selecting an atom 2) select a "SUBSTITUTE atom by fragment" menu (as for INSERT using the "Building" menu) 3) choose a fragment in the library 4) the selected atom will be substituted by this fragment I think that should be very similar to the INSERT menu. As an example, Molden proposes such a possibility that is very easy to use. In my opinion, the "fragment" word (french version of Avogadro) is not exactly appropriate in the current INSERT menu because this possibility inserts a FULL molecule while the SUBSTITUTE menu would use a fragment, i.e a molecule with the "link atom" removed. Once more, thanks for developping Avogadro which is a very helpful tools both in research and education ! Eric H. Le 16 sept. 2010 à 17:16, Geoffrey Hutchison a écrit : >> Is there any possibility to do that in Avogadro ? That would >> be easier to build a large chemical system >> by simply growing a small starting atoms set. > > It's something I'm working on... Suggestions for how you'd like to see the interface would be welcome. I'm thinking it would be a new tool. > > -Geoff > ------------------------------------------------------------------------------ > Start uncovering the many advantages of virtual appliances > and start using them to simplify application deployment and > accelerate your shift to cloud computing. > http://p.sf.net/sfu/novell-sfdev2dev > _______________________________________________ > Avogadro-Discuss mailing list > Avo...@li... > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss > |