Hi people.
I have a similar question.
does exist a project to open and manipulate amber files (for example) in
Avogadro? I mean, we have nice Force fields to work with small
molecules but we don't have a force field to macromolecules.
Thks
2011/4/20 Geoffrey Hutchison <[email protected]>
> > 1. In the Avogadro's autooptimization tool the phrase "fixed atoms are
> movable" is ambiguous. Does it mean "selected atoms are movable"?
>
> There's a concept of a "fixed atom" (i.e., not affected by optimization --
> frozen in space). Maybe "frozen" is a better word.
>
> The option means that you can manually move these fixed atoms.
>
> If anyone has a better idea for wording, we're always open to them!
>
> > 2. I've read that Dreiding atom types already are determined by
> openbabel. Will the Dreiding optimization be introduced into Avogadro any
> time in the future?
>
> Maybe. Right now, I think our main interest is improving optimization
> speed. But if there's interest in Dreiding, please let me know or add it as
> a feature request!
>
> Thanks very much,
> -Geoff
>
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Consolidation -- Increasing the use of server virtualization is a top
priority.Virtualization can reduce costs, simplify management, and improve
application availability and disaster protection. Learn more about boosting
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