Molecule simulation program?

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I've tried E-Chem and Jmol so far and am not impressed (although with freeware, why should I be?) Anyone have a recommendation as to which program I should get?

I'd like one that would do for small to medium sized organic molecules, estimate properties, be able to delete mistakes and open saved work.

Have you tried PyMol?

(Again, more free-ish-ware, but I've used it for large models and it's served me well.)

-cam

Thanks, I'll try it.

Tried it. May have potential, but is not user friendly nor intuitive. Thanks anyway.

well, i noticed with jmol that it kinda varies with the site you use
i've seen some very basic lame ones
and some that were super ultra mega detailed
i might be wrong on that,..i just know it was all java based stuff and i assumed it was jmol
when i find the good ones i saw, i'll post it


i also just got ChemOffice
but it was actually ChemBioOffice,...which was even better
i only got it to use ChemDraw but i briefly checked out the 3D thing and it looks really good

give me a molecule and i'll see if i can make something you can see for yourself
i want to say it has video options

What kind of simulation do you need - just drawing of 3D models or quantum mechanics (ab initio, DFT, molecular mechanics etc.)? ACDLabs ChemSketch ans ISIS Draw are good programs for drawing organic molecules (even in 3D), for quantum mechanics you can try, e.g. HyperChem, PC GAMESS, Gaussian etc..

Definitely HyperChem. HyperChem has a 'steep learning curve' and just disregard the audio tutorial. There are innumberable features w/ HyperChem....

I did Hydrogen Pair Bonding, w/ Im + various carboxylic acids (in space). Look at vibrational spec, even has NMR simulation.

If you need, for ex. dipole moments, these are drawn for you, electron clouds, ad infinitum.