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Conformer search Problem

The conformer search tool doesn’t work (1.20 on Mac OS Mojave)
Drawing methyl acetate and running conformer search after auto-opt leads to nothing.
Moreover, in the dialog box the number of rotable bonds is 0 !!

What should I do ?

Environment Information

Avogadro version: 1.20
Operating system and version: Mac OS Mojave

I think my first question is whether it’s an issue with just methyl acetate, or a general conformer search problem.

If you pick say octane, how many rotatable bonds does it show? (It should be 5 - the internal dihedrals).

Yes I am sorry
I do understand that for avogadro a rotamer is not a conformer and that two chairs are not conformers as well…

Sorry for this and thanks for the answer

The use of ‘rotamer’ implies that by default Avogadro (and the underlying Open Babel library) rotates dihedrals and does not relax the geometry (i.e., a conformer is a local minima after rotating bonds).

I’m not sure what you mean by “two chairs” in relation to methyl acetate?

Dear Geoff

2 chairs was in line with a substituted cyclohexane where a substituent may be axial or equatorial depending on a the information of the cyclohexane

Thanks again,

Best regards

Ring conformers are not currently sampled. I’m still not sure what that has to do with your original question / bug - with methyl acetate…

Ring conformers are not currently sampled. I’m still not sure what that has to do with your original question / bug - with methyl acetate…

My comment was on the conformer search tool methyl acetate was just an example as cyclohexane is

I am also having similar problem but with Windows version. For some reason, after opening xyz-file Windows version shows that number of rotatable bonds is 0 where as the same file with Linux version works perfect.