Hello Xiang

I have no experience with Alchemy format, but yes it looks like a problem with 
the file 
reader.
And I agree with Rolf, you have overlapping atoms, and "select all" reports 13 
atoms. You 
should clean up your alc file.

You have several ways to do this in Jmol (apart from having the file reader 
work):

a) define your "bonds" in JmolScript, which can be provided in a script or 
maybe embedded 
in the molecular file
    connect (atomno=1) (atomno=2,atomno=4,atomno=5)
etc.

b) draw lines instead of bonds
    draw (atomno=1) (atomno=2) (atomno=3) (atomno=4) noFill mesh
etc.

c) in this example, it is enough to have Jmol draw the boundbox (will not work 
in other files 
less symmetrical):
      boundbox on
     boundbox 0.03; color boundbox orange


To prevent Jmol from drawing any bonds before you define your own, use
     connect (*) (*) delete

Reference:

a) http://www.stolaf.edu/academics/chemapps/jmol/docs/#connect

b) http://www.stolaf.edu/academics/chemapps/jmol/docs/#draw

c) http://www.stolaf.edu/academics/chemapps/jmol/docs/#boundbox


Hope it is of help. In any case, you should check your file against some 
correct molecule file 
in Alchemy and see if there is a bug in Jmol reader, then report it.


------------------------------------------------------------------------------
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

Reply via email to