Quoting Angel Herráez <[EMAIL PROTECTED]>:

Thanks a lot Angel...

>> http://q4md-forcefieldtools.org/REDDB/
>
> Right now I cannot se any models in that page due to a Java security  
>  lock. (It may be my
> system, these problems are more frequent lately with new versions of Java).

Which browser/OS do you use ?
I modified the source code of the pages containing the java applets.  
This helps to solve some problems; under konqueror at least...

- I also have problems under linux & 64 bit machines. Konqueror works  
fine by providing the path to the java binary: firefox & opera cannnot  
display the java applet. Do you have any information about java -  
firefox/opera under linux 64-bits ?

- With konqueror, or opera/firefox under linux 32-bits, I load the  
applet and right click to display the "Java Applet Window". Under  
windows the position of this Java Applet Window is correct; under  
linux it goes on an extreme side (left or right) of the screen. Any  
idea why ?

> The menu choices are very restricted, giving only the most common   
> options, but yes you
> can get atom charge either using the console or a script within the webpage:
>   label %P
> (that is for partial charge; formal charge is %C but I gues that's   
> not what you need)
> The FF atom type can be displayed in a label using the recently added
>   label %B

Thanks. Concerning the CML file format, is it possible to add a  
description of the FF atom types in this file format ?

i.e. adding a specific keyword for FF atom types in:
   <atomArray>
     <atom id="C1" elementType="C" x3="1.352215" y3="-0.788524"  
z3="0.179722"><scalar dictRef="jmol:charge">-0.287</scalar></atom>
   </atomArray>

> In addition, if you want those to be in the pop-up menu, you can   
> create and load a custom pop-up menu for your applets. See  
> http://wiki.jmol.org:81/index.php/Custom_Menus

Thanks again

regards, Francois



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