Re: [Avogadro-Discuss] How do I access the Z-matrix tool?

[Marcus D. H. <mar...@ki...>]

Rick,

It is the former (to/from Cartesian, corner cases), it was also in
progress as I moved between positions and I never got around to it. I
would welcome input on robust implementations, and can handle the
Avogadro side. I would gladly update the Avogadro 1.1 version, and am
eager to port this to Avogadro 2.

Thanks,

Marcus

On Mon, Apr 7, 2014 at 4:36 PM, Rick Muller <rpm...@gm...> wrote:
> Marcus,
>
> Thanks for the reply. What's the probably getting the zmatrix robust? Is it
> the conversion to cartesian coordinates, or the interaction with the rest of
> Avogadro? I might be able to help with the former, but probably not the
> latter.
>
> Rick
>
>
> On Mon, Apr 7, 2014 at 10:51 AM, Marcus D. Hanwell
> <mar...@ki...> wrote:
>>
>> Hi Rick,
>>
>> On Mon, Apr 7, 2014 at 12:46 PM, Rick Muller <rpm...@gm...> wrote:
>> > I'm interested in using the Z-matrix tool in Avogadro. I'm currently
>> > using
>> > Avogadro v1.1.1, and the tool does not appear in the toolbar or the
>> > menus.
>> > Can I enable it, or do I need to download a newer build to get it?
>> >
>> It is not enabled by default because I never got it working in a
>> robust way. It is enabled by a build flag, I could enable it in the
>> next release builds by default (and would like to revisit this as it
>> would be great to get working).
>>
>> Thanks,
>>
>> Marcus
>>
>>
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>
>
>
> --
> Rick Muller
> rpm...@gm...
> 505-750-7557
>
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