Re: Any suggestion about chemistry-tools
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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