Skip to Content.
Sympa Menu

sm-spell-submit - Re: [SM-Spell-Submit]New spell [ section: [science | z-rejected] ] molden

sm-spell-submit AT lists.ibiblio.org

Subject: Submit list for new spells

List archive

Chronological Thread  
  • From: Yoav Avitzour <avitzour AT princeton.edu>
  • To: eric AT sandall.us
  • Cc: Source Mage Spell Submit <sm-spell-submit AT lists.ibiblio.org>, Geoffrey.Derber AT Trinity.edu, "ryan.abrams AT attbi.com" <ryan.abrams AT attbi.com>
  • Subject: Re: [SM-Spell-Submit]New spell [ section: [science | z-rejected] ] molden
  • Date: 22 Aug 2002 12:36:31 -0400

I don't know what is our policy regarding that. Ryan ?

On Mon, 2002-08-19 at 19:20, Eric Sandall wrote:
> Free for non-commercial use, hence my z-rejected mention.
>
> Molden is a package for displaying Molecular Density from the Ab Initio
> packages GAMESS-UK , GAMESS-US and GAUSSIAN and the Semi-Empirical
> packages Mopac/Ampac, it also supports a number of other programs via the
> Molden Format. Molden reads all the required information from the GAMESS /
> GAUSSIAN outputfile. Molden is capable of displaying Molecular Orbitals,
> the electron density and the Molecular minus Atomic density. Either the
> spherically averaged atomic density or the oriented ground state atomic
> density can be subtracted for a number of standard basis sets. Molden
> supports contour plots, 3-d grid plots with hidden lines and a combination
> of both. It can write a variety of graphics instructions; postscript,
> XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and Figure. The
> Xwindows version of Molden is also capable of importing and displaying of
> chemx, PDB, and a variety of mopac/ampac files and lots of other formats.
> It also can animate reaction paths and molecular vibrations. It can
> calculate and display the true or Multipole Derived Electrostatic
> Potential and atomic charges can be fitted to the Electrostatic Potential
> calculated on a Connolly surface. Molden has a powerful Z-matrix editor
> which give full control over the geometry and allows you to build
> molecules from scratch, including polypeptides. Molden was also submitted
> to the QCPE (QCPE619), allthough the Xwindows version is considerably
> running behind on the current one.
>
> -One of Three
>
> --
> Eric Sandall | Source Mage GNU/Linux Developer
> eric AT sandall.us | http://www.sourcemage.org
> http://www.sandall.us/~sandalle | SysAdmin @ Inst. Shock Physics @ WSU
> ICQ: 667348 | http://www.shock.wsu.edu/
>





Archive powered by MHonArc 2.6.24.

Top of Page