Am 21.03.2011 19:04, schrieb David Lonie: > Hi list, > > I think most of you have given up reviewing the crystal builder > extension since I just kept pushing updates. Sorry about that -- I > kept adding more features before old ones were accepted and didn't > want to flood the review board with changes that depended on > unaccepted, volatile code. > > I've now added all the features I can think of to the builder, and > I'll stop constantly pushing updates, I promise ;-)
My 2 cents as a chemistry/biology teacher: I (and some of my collegues) are using Avogadro to demonstrate/illustrate crystals such as NaCl. In most cases I open a .cif file (taken from JMOL: http://chemapps.stolaf.edu/jmol/docs/examples-11/data/ ). Often I create a 3x3x3 array at the beginning so that my students can see how the ions are arranged in 3D. We have one of these interactive whiteboards [1] so it is quite cool to rotate the cell by moving a stick/pen on the wall. Makes fun. Then I remove the third axis and make a 3x3x0 array so that it is easier to understand the layers. I haven't tested your code but what I don't like about the 1.0.1-version of Avogadro is this: If I open a .mol-file I don't have those grey lines. I found no way to get rid of those lines. (see [2] or [3] if you don't know which lines I mean) I simply see no need for these lines, at least not as the default setting. I think it would be nice to have the unitcell dialog integrated in the UI (no dialog) as it would mean less mouseclicks to change the crystal. As soon as you have a windows-binary for me to test I will test your code and report back. Carsten [1] http://www.prometheanworld.com/german/upload/img_200/ActivBoard2_300-web.jpg [2] http://upload.wikimedia.org/wikipedia/commons/b/b2/Silicon-unit-cell-labelled-3D-balls.png [3] http://avogadro.openmolecules.net/w/images/7/75/Avogadro-unitcell.png ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
