Re: [Jmol-developers] Re: [Jmol-users] Dipole moment visualization?

2003-06-07 Thread Dan Gezelter
The dipole moment (and possibly other molecular information) is a good idea. One suggestion would be to use an arrow line, but one that is extended on both sides of an invisible pseudo atom: x> The pseudo atom would be added as an extra atom at the center of mass of the entire molecu

[Jmol-developers] Re: [Jmol-users] Dipole moment visualization?

2003-06-07 Thread Miguel
Victor, !Muy bien! An excellent explanation. > Programs like gaussian and aces already give you the components of the > dipole moment, e.g., for water Gaussian98 yields: > > Dipole moment (Debye): > X= 0.0004Y=-2.3883Z= 0. Tot= 2.3883 > > and ACESII yields: >

[Jmol-developers] [ jmol-Feature Requests-750588 ] Add visualization of dipole moment

2003-06-07 Thread SourceForge.net
Feature Requests item #750588, was opened at 2003-06-07 08:44 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=750588&group_id=23629 Category: Interface Improvements Group: None S

[Jmol-developers] Re: [Jmol-users] Dipole moment visualization?

2003-06-07 Thread Miguel
> - a dipole is a vector with a length reflecting the dipole moment value I can easily add this, but I need a simpler explanation and an example. Victor, can you assist me? Miguel --- This SF.net email is sponsored by: Etnus, makers of To

[Jmol-developers] Re: [Jmol-users] Dipole moment visualization?

2003-06-07 Thread E.L. Willighagen (Egon)
On Saturday 07 June 2003 16:33, Victor Manuel "Rosas-GarcĂ­a" wrote: > Is Jmol able to display the vector for the total dipole moment of a > molecule? I've seen the vectors in the animation of the vibrational modes, > but I haven't had any luck with the dipole moments. > > Are there any plans to add

[Jmol-developers] [ jmol-Feature Requests-743640 ] A New menu option

2003-06-07 Thread SourceForge.net
Feature Requests item #743640, was opened at 2003-05-26 14:36 Message generated for change (Settings changed) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=743640&group_id=23629 Category: Interface Improvements Group: v7 >Status: Closed Pr

[Jmol-developers] Re: Multiple windows are done

2003-06-07 Thread E.L. Willighagen (Egon)
On Saturday 07 June 2003 02:47, Carl Resnikoff wrote: > I think I'm done. Please let me know what you think, and if you want a > different Diff format. Personally, I prefer the "cvs diff -u" output, which is so called unified diff... > I'm still kind of new to CVS, although I've used many sourc