Re: [OpenBabel-scripting] which one should I use , pyopenbabel or pybel ?

[Noel O'B. <bao...@gm...>]

First of all, there is some confusion over the names of the modules.
SVN contains an openbabel Python module (openbabel.py), as well as the
Pybel module (pybel.py). The 2.0.2 release just contains openbabel.py
.

Pybel is not a replacement for openbabel.py, nor does it deprecate it.
In fact, both can be used together as Pybel is built on top of
openbabel.py. Pybel simplifies the task of reading and writing files
for example. Using openbabel.py, this takes several lines; using
Pybel, it takes one line.

For the moment, if you find the difference between Pybel and
openbabel.py confusing, it is perhaps better to use openbabel.py. I
will put some examples on the web page showing how the two can be used
together (as I think this is what most people will want to do).

If you are interested, I recommend you to look at the source code of
Pybel.py. It is not very long, and gives some examples on how to use
openbabel.py.

Regards,
   Noel

(I note that Pybel was formerly called pyopenbabel.py but it is better
to forget this :-) )

On 23/11/06, fdu...@gm... <fdu...@gm...> wrote:
> Hi all,
>
> I am going to write a little program with the python wrapper of openbabel.
>
> The current release of openbabel(2.0.2) is shiped with pyopenbabel, but
> the svn version provides pybel as well. It seems that pyopenbabel.py
> contains more functions than pybel.py.
>
> I have searched the wiki, but there is only introduction of pybel.
>
> So I'm a little confused. Which one should I use, pyopenbabel or pybel ?
> Is pybel going to replace or deprecate pyopenbel.
>
> Thanks !
>
> xiaojf
>
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