Re: >H FYI:NanoCAD in Java (fwd)

Sarah Marr (sarah.marr@dial.pipex.com)
Sun, 03 Aug 1997 18:06:35 +0100


Looking at this made me search the web for other available applications. I
recommend the following:

AccuModel v.1.1, which is a molecular modelling tool including MM3 energy
minimization calculations, etc. Results in 3D as stick, stick-and-ball,
space-filled, etc. Easy to use. Can't recommend it enough. Get it from:

http://www.microsimulations.com/accumodel.html

If you want other things to play with:

1) ISIS/Draw: free for home use, fully-functional two-dimensional chemical
formulae/reaction constructor, includes a library of complex amino acids,
etc. and a _chemical checker_ which will tell you if you've created
something unfeasible. Export your model as a .mol file and you can load it
in to AccuModel. (Similarly, you can import AccuModel files in to
ISIS/Draw.) ISIS/Draw comes with RASMol, which shows your models in 3D, but
not as well as AccuModel.

2) MolPOV: converts .pdb files (exported from AccuModel) in to .pov files,
which can be used in...

3) ...POVRay: which will produce a ray-traced version of your molecule with
specular shading, etc.

The URLs for these three programs are:

ISIS/Draw: http://www.mdli.co.uk/prod/download.html
MolPOV: http://www.chem.ufl.edu/~der/der_pov2.htm
POVRay: http://www.povray.org/nj-index.html

Enjoy!

Sarah

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