Molecule construction program

[Ordinis]

Hey!

I wasn't really sure where to post this so please excuse me if it was wrong of me to post it here.

 

Anyways, I was wondering if there exists some kind of computer programme where you can build molecules AND where they tell you if the molecule can actually exist.

Thanks!

[hypervalent_iodine]

There are a number of drawing programs available that will generally shoot errors if you exceed bond capacity, etc., but that's not always an accurate reflection of whether or not something can exist (in that sense). The gold standard for drawing small molecules (i.e. not proteins) is probably ChemDraw and ChemDraw 3D. I would imagine individual licenses for this are quite expensive, though I doubt you'd really need all of the functions it offers and so something like Chem Sketch may be better (I think Chem Sketch is free).

 

What these programs won't really do, at least to my knowledge, is tell you whether or not something exists for an appreciable time. There are more specific modelling programs that are used to calculate / predict the energies inherent in a molecule (as an example), but without a functioning knowledge of chemistry, it won't be very helpful to you. ChemDraw 3D also does this to an extent, but I am unsure of how accurate its modelling capabilities are.

 

Is this just a thing you're doing for interest's sake, or do you have a specific purpose in mind?

[Ayesha]

I think you are talking about Molecular graphics..If so Check out the links below for complete information regarding to the drawing of molecular structures through different computer programmes and soft wares.

 

http://en.wikipedia.org/wiki/Molecular_graphics

http://en.wikipedia.org/wiki/List_of_molecular_graphics_systems

[Enthalpy]

Chemsketch is free, yes. The edition I use knows only one rudimentary model for chemical bonds. Full of nice small features, like "automatic" draw from a Smiles.

 

ArgusLab is free as well and knows more evolved models for atomic bonds. Using both isn't bad.

 

Though, both allow to draw very well molecules that are completely impossible, say because of strain. This polycylic-pentane frenzy is accepted by both UFF and AM1: