Hi Allen, Where to find structures is not really a Chimera question. As you have probably seen, there are a number of repositories or more specific sources of structures, some freely accessible, some requiring paid subscriptions. Once you have obtained 3D coordinates for some molecule or complex, if it's not in the right format for Chimera, you can generally convert it. One popular format conversion tool is this Babel server: http://iris12.colby.edu/~www/sconv.cgi Chimera can read structures in PDB and Mol2 format currently; the snapshot release coming soon (in a week or two) will also read CIF and mmCIF. You didn't say what company is showing a 3D representation of the compound. However, even if there is a picture of the 3D coordinates, it does not mean that those coordinates are freely available or even experimentally determined (i.e. someone at the company might have built a model). I did take a look in Pubchem and ChemIDplus for this complex. I found entries, at least if (which I suspect is true) it is also known as tantalum(+5) ethanolate. However, they just had flat chemist's drawings and not 3D coordinates. It might be in the Cambridge Crystallographic Database, but I believe that requires a subscription (i.e. is not freely available). It might be available somewhere else, but again, that is not a Chimera issue (and unfortunately not a solved issue either). All that can be done in cases like this is to search the web and follow links, or generate your own theoretical model. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On May 25, 2006, at 11:46 PM, Allen Stock wrote:
HI, I'm interested in viewing the 3D structure for the following inorganic component: Tantalum Pentaethoxide ... also known as TAETO
The following company gives a 3D representation of the compound. Any idea where I can find a 3D description that can be displayed with Chimera.
Thanks for your attention and feedback. Regards, --Allen _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users