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Autor: Witek Mozga (mozga_at_trimen.pl)
Data: Thu 13 Dec 2001 - 08:21:21 MET

Witam,

Niedawno na chemfanie angielskim
(http://www.termisoc.org/~andyk/chemfan) pojawilo sie ogloszenie o darmowym programie do modelowania molekularnego. Zainstalowalem i testuje. Taki HyperChem dla ubogich. Niemniej jednak warto go sobie scignac (tylko 10M) chocby po to, zeby sobie ladne przestrzenne wzory narysowac:


   ArgusLab Molecular Modeling Program
   version 3.0 beta release is now available

   (version 2.0 is still freely distributed from our website)

 Featuring extensive support for rendering surfaces.  Featuring an incredible 3D interactive molecule builder  Build and optimize structures for the entire periodic table.  Featuring computational methods for spectroscopy, geometry  optimizations,
energies, and properties

 Please visit http://www.planaria-software.com to download a copy.

 See some screenshots at http://www.planariasoftware. com/gallery.htm

 (If you like the program, please tell a friend)

 New Features in 3.0


 Support for surfaces: simple, difference, mapped, and mapped  difference Easy-to-use Surface construction and editing tool Render  surfaces in opaque, translucent, mesh, and dot Generate grid files  for surfaces: orbitals, electron density,electrostatic potential, and spin density.
 Import Gaussian cube files for surfaces.  Read molecule structure from Gaussian .log files  Clipping plane for surfaces.
 Automatic assignment of atomic hybridization.  Automatic assignment of force field atom type.  Automatic ring finder and aromatic ring display.  Improved interface to the SCRF solvent model.  Printing.
 Charge equilibration charges for the UFF force field.  Extensive support of Undo/Redo for all user-input to the graphics  window. Space filling rendermode added. Apply rendermode options to
 subsets of atoms and bonds. Apply automatic hybrid, ffatom type, and
 ring finding to subsets of atoms Apply geometry optimization updates  to subsets of atoms. Set background color Lots of bug fixes from  ArgusLab 2.0 Greatly enhance HTML help system with tutorials.

Witek
http://www.trimen.pl/witek/

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To archiwum zostało wygenerowane przez hypermail 2.1.7 : Thu 08 May 2003 - 14:49:41 MET DST