Re: Any suggestion about chemistry-tools
Thank you for your help very much!
With my REGARDS to all developers!
Nickel Cobalt
On Sun, May 13, 2007 at 04:03:32PM +0200, Daniel Leidert wrote:
> Am Sonntag, den 13.05.2007, 21:09 +0800 schrieb Nickel Cobalt:
>
> > I'm a chemistry teacher in senior school. For several years I used ACD/sketch in
> > windows, but now I am using debian4.0 stable.
> >
> > I want to know are there something tools like ACD/sketch in debian,
> > which must have following feathers:
> > a. moleculer designer
>
> 2D: xdrawchem, gchempaint, chemtool, bkchem
> 3D: molden, gabedit (AFAIK), ?? - I do not need such tools that often,
> so checout gdis and co at your own :)
>
> > b. 3D view and rotation
>
> Most viewers are open source and we have several of them: pymol,
> rasmol, ... Have a look at the list in the Wiki.
>
> If you have Java installed, I can also commend Jmol.
>
> > c. pretty output with OpenOffice and/or PDF, as well as latex
>
> Maybe easychem? It was created for this purpose.
>
> > d. some moleculer template such as ACD/sketch
>
> Most (all current?) editors should have.
>
> > e. bond length & bond angle caculation, etc.
>
> Don't know atm. Don't need such a feature. But there are several QM
> programs. Have a look at the list.
>
> > Any suggestion will be apreciate!
>
> Have a look at http://wiki.debian.org/DebianScienceChemistry. If you
> need one of the not yet included packages, we are working at (like
> molden, gabedit or bkchem), just contact me or the
> http://alioth.debian.org/projects/debichem project.
>
> If a tool cannot satisfy all of your needs, then you can easily use
> exchange formats, by using e.g. CML (have a look at openbabel and
> chemical-mime-data).
>
> Regards, Daniel
>
>
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