Subject: Re: CCL:Viewing multiple structure files

From: Ferenc Csizmadia <[email-masked]>
Date: Thu, 11 Jan 2001 10:36:11 +0100

Hi Daniel,

What do you mean by scrolling through the conformations?

- Should they appear side by side in different cells of a table? In this case
you may apply MarvinView's table display option

- Or should they be displayed one after the other in one cell. You can create an
HTML page consisting MarvinView applet, which loads the files consecutively
using a custom function that calls the windows.timeOut(...) method.

MarvinView's Edit | Source popup menu option enables the chemists to retrieve
file in several formats, like Molfile and Smiles. 3D rotation is supported.

If you need more information or help, please contact me.

Regards,
Ferenc

--
Dr. Ferenc Csizmadia
ChemAxon Ltd.
http://www.chemaxon.com
mailto:[email-masked]

Daniel Severance wrote:

> Greetings CClers,
>     I've generated a set of conformations of a molecule and want to send it
> to some chemists at a remote site.
> Is there a simple application (Windows NT) for simply scrolling through the
> set of conformations one at
> a time (visually, with 3D rotation ability) so they can see the results?  It
> needs to do nothing else, although it
> might be nice to be able to dump out the current conformation into a new
> file, it wouldn't be required.
>     Is there anything available to do this (either academic or commercial is
> fine)?
>     Thanks!
>          Dan
>
> ____________________________________________________
> Daniel L. Severance Ph.D.
> Computational Chemistry
> ACADIA Pharmaceuticals
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