Definitely no alchemy file format reader in Jmol. If someone can find me a specification, I'll create one. I'm a little concerned that the file format does not specify element -- assuming, for example, that "CAR" will be interpreted as carbon. I'd need to know what other aspects like that there might be that would complicate the reader.
Bob On Mon, Dec 8, 2008 at 7:42 AM, Angel Herráez <[EMAIL PROTECTED]> wrote: > Does Jmol really support the Alchemy format? > > The Jmol main webpage does not mention it, the Jmol Wiki does (both are > likely my > fault). However, there are no example files in "Jmol-datafiles" folder at SVN. > > I tried the non-chemical file just reported by Xiang-Jun Lu and a molecule > from Paul > Bourke (linked from the Wiki {1}). The Jmol Java Console says > The Resolver thinks FoldingXyz > > and reports > 13 atoms, 10 bonds where the file says 12 atoms, 12 bonds > and > 22 atoms, 17 bonds where the file says 21 atoms, 21 bonds > > > {1} > http://wiki.jmol.org:81/index.php/File_formats#Alchemy_.28Tripos.29 > http://local.wasp.uwa.edu.au/~pbourke/dataformats/alc/alc3/ > > > ------------------------------------------------------------------------------ > SF.Net email is Sponsored by MIX09, March 18-20, 2009 in Las Vegas, Nevada. > The future of the web can't happen without you. Join us at MIX09 to help > pave the way to the Next Web now. Learn more and register at > http://ad.doubleclick.net/clk;208669438;13503038;i?http://2009.visitmix.com/ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ SF.Net email is Sponsored by MIX09, March 18-20, 2009 in Las Vegas, Nevada. The future of the web can't happen without you. Join us at MIX09 to help pave the way to the Next Web now. Learn more and register at http://ad.doubleclick.net/clk;208669438;13503038;i?http://2009.visitmix.com/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users