Re: [Jmol-users] Questions regarding surfaces

2005-01-19 Thread Egon Willighagen
On Thursday 20 January 2005 04:05 am, Miguel wrote: > I have a question regarding surfaces ... > > Certainly there is a need for a Connolly surface ... > > Q: Is there really any need to have a vanderWaals surface? Isn't that just the 'spacefill 100%' model? Egon ---

[Jmol-users] Questions regarding surfaces

2005-01-19 Thread Miguel
I have a question regarding surfaces ... Certainly there is a need for a Connolly surface ... Q: Is there really any need to have a vanderWaals surface? Q: What type of surface(s) does Chime support? Miguel --- This SF.Net email is sponsor

[Jmol-users] www.jmol.org in French ... more translations needed

2005-01-19 Thread Miguel
www.jmol.org has been translated into French! Nicolas has been working very hard for the last month on a French translation of the Jmol web site. You can see the results of his work by visiting www.jmol.org. Those of you who have French as the primary language of your system/browser should see the

Re: [Jmol-users] m-xyz files 'FOR REACTION COORDINATE'?

2005-01-19 Thread Miguel
> I am trying to understand the m-xyz file format and methods for > creating them for animations. > > Please can someone explain the origin of the "FOR REACTION COORDINATE" > data item in this sample m-xyz file? I do not know where this file came from. > Does Jmol make any use of this data? The

[Jmol-users] m-xyz files "FOR REACTION COORDINATE"?

2005-01-19 Thread Nick Greeves
I am trying to understand the m-xyz file format and methods for creating them for animations. Please can someone explain the origin of the "FOR REACTION COORDINATE" data item in this sample m-xyz file? Does Jmol make any use of this data? cyclohexane_movie.xyz from http://jmol.sourceforge.net/de