Software to draw chemical structures and reaction mechanisms

MacConmheadha

Does anyone know of a software to draw structures and reaction mechanisms?

I've been trying Chemsketch, it's alright but it doesn't give me the option to do some of the things I need to do.

I'd prefer it to be free, but if there's one that's good and relatively cheap, it'll do.

AaronEnnis

If you're in college, your IT department should have a copy of the latest, or any new-ish version of chemdraw. It's dead handy, as you can predict H1 shifts with it too, and draw TLC plates.

If you can't get your hands on that, then symyx draw does the trick, it's free - http://symyx-draw.en.softonic.com/download (used to be able to download it from the accelerys website too).

SOL

Chemdraw is definitely one I'd recommend if you can get a licence for it, otherwise it's eyewateringly expensive, although if you only need of for a short while you could avail of the free trial if that met your needs...

What are you trying to do with chemsketch that you cant do?

MacConmheadha

I've no problem drawing the structures, the mechanisms are just a graft. I've got the hang of it but I've to use microsoft paint and picture manager to draw/fix it fully.

This is part of a mechanism I had to do:

This is what I get when I draw it with chemsketch:


This is what I actually want, after I used paint and picture manager:


It could just be that I haven't come across the way to do that on chemsketch.

FISMA

MacConmheadha wrote: »

Does anyone know of a software to draw structures and reaction mechanisms?

Hi,
Not sure if this is what you want, but if you go here

http://phet.colorado.edu/en/simulations/category/chemistry

You can build mlcls, atoms, and more. Have a look

Woodward

MacConmheadha wrote: »

I've no problem drawing the structures, the mechanisms are just a graft. I've got the hang of it but I've to use microsoft paint and picture manager to draw/fix it fully.

This is part of a mechanism I had to do:

This is what I get when I draw it with chemsketch:


This is what I actually want, after I used paint and picture manager:


It could just be that I haven't come across the way to do that on chemsketch.

That is doable in chem sketch. You need to use the atom chemical properties button (click the right arrow at the bottom of the left panel) to assign the carbon as a cation.

MacConmheadha

Thanks, that actually helps a lot.

taos

Hi,
if still in need of a tool that might be more comfortable, why don't you check Reaction Tool here:
http://www.sysment.hu/?page_id=305
The multi-step reaction and reaction mechanism handling is still under implementation, but it is a cheap and very useful tool. There is a free trial license and it is free for academic parties.
And there is a sale now :-)