Subject: RE. Problem encountered in Marvin Editor

From: Alex Allardyce <aa{at}chemaxon.com>
Date: Thu, 02 Sep 2004 10:06:59 +0200

Hi Raju,

I have forwarded this message to our Technical Support Forum  <http://www.chemaxon.com/forum/index.html>where is has been/is being discussed here <http://www.chemaxon.hu/forum/ftopic206.html>.

Cheers

Alex

-- 
Alex Allardyce
Communications Director

Chemaxon Ltd
Maramaros kvz 3/a
Budapest, 1037 Hungary
Tel.: +361 4532658
Fax.: +361 4532659

e-mail: aa{at}chemaxon.com

Hi CCL memebers,

I am working on 2D MDL Mol files.
My existing 2D Mol files were opened in Marvin Editor and again saved it as
(.MOL) file. Just curious enough to check the Mol structure file.
And to my surprise the Co-ordinates for the same structure has changed.
(Though the structure is the same). I repeated this for my all structures,
co-ordinates have changed.

Has anybody tried this and already reported. Please let me know.

I repeated this with all my 3D MDL Mol files. The same co-ordinate problem
is repeating! This has serious implications in 3D descriptors???
The 3D descriptor values no longer remain the same for the same structure.

I would be glad if you could give your comments and feedback to solve this
problem!!!!!!!

Thanking you,
Warm Regards,
Raju Vishwanathan
Sr. Consultant
SysArris Software
# 120 A, Elephant Rock Road,
III Block, Jayanagar,( Opp to HSBC ATM ).
Bangalore-560011
India.
Tel. No. 91-80-26654965,26655052,26642690,
Fax No. 91-80-26650374
<<http://www.sysarris.com/>>
The information in this message is conf dential and may be legally
privileged. It is intended solely for the addressee. Access to this message
by anyone else is unauthorised. If you are not the intended recipient, any
disclosure, copying, or distribution of the message, or any action or
omission taken by you in reliance on it, is prohibited and may be unlawful.
Please immediately contact the sender if you have received this message in
error.Thank you.