Subject: Summary - free molecule editor under Linux

From: Anselm Horn <[email-masked]>
Date: Tue, 19 Mar 2002 09:02:49 +0100

Dear CCLers,

last week I posted a question about a free molecule editor under Linux.

Many thanks to all who answered !!
(summary below)

Best regards,

Anselm

======================================================================
Original question:
-------------------------

I am looking for a free 3D-molecule editor/builder (not just viewer)
under Linux/Unix.
Input should be mouse-and-click-orientated (not just visualized
Z-matrix-input),
and ideally it should run without any additional installation effords
(i.e. statically linked; C/C++/[Java]).

At the moment, I am only aware of Pymol and GDIS.
Are there any established alternatives ?

My motivation is to offer our Windows-trained students some familiar
input facility and visualization tool...

======================================================================
Here are the summarized answers:
-------------------------

I'm rather biased towards the Ghemical package under the GNOME
environment. Excellent editor and improving fairly quickly. The package
uses the new Open Babel project (included) for file translation to many
file formats.

There are now RPMs and Debian .debs available too.
<http://www.uku.fi/~thassine/ghemical/>

--
-Geoff Hutchison                <[email-masked]>
Marks/Ratner Groups             (847) 491-3295
Northwestern Chemistry          <http://www.chem.nwu.edu>

-------------------------
Hello,

perhaps take a look at WebMO:

http://www.webmo.net

Kind regards,

Wibke Sudholt
University of California, San Diego
USA

-------------------------

Dear Anselm,

the Marvin Java applets are not totally free but maybe worth a look:

http://www.chemaxon.com/marvin/

Cheers

Thomas Wein

-------------------------
Please look at http://chemviz.ncsa.uiuc.edu/ under nanocad editor or
http://chemviz.ncsa.uiuc.edu/cgi-bin/nanocad/nanocad.cgi You can
register
and get an account free.
This applet will be included in a java based portal application to be
distributed in the next few months.

Sudhakar.

-------------------------

Dear Anselm,

My response may be way off the mark, Linux-wise, but if you are ever in need of
a very inexpensive Windows molecule builder, please consider looking at
ArgusLab (www.arguslab.com).

Sincerely,
Mark Thompson

-------------------------

Anselm,

        I'm curious about what your experience has been with PyMOL so
far, in terms of being a builder.  The project is still in 'early days'
and the documentation on building is nonexistent, but have you been able
to use it for this purpose at all?  If you have, are the critical
missing components you would add first in order to help address your
basic needs?

        Obviously PyMOL won't change greatly overnight, but over the
next 6-12 months, I'd like it to evolve into a better and better tool
for this kind of thing, particularly when it comes to students...

Cheers,
Warren

--
mailto:[email-masked]
Warren L. DeLano, Ph.D.
Informatics Manager
Sunesis Pharmaceuticals, Inc.
341 Oyster Point Blvd.
S. San Francisco, CA 94080
(650)-266-3606  FAX:(650)-266-3501

-------------------------

--
_______________________________________________________________________
Anselm Horn, Dipl. Chem. Univ.          [email-masked]
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