FW: ORGLIST: attachments

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From: Michael Engel (michael-engel$##$ma.dic.co.jp)
Date: Wed Feb 07 2001 - 17:41:48 EST


I am resending this message, yesterday it always came back.

Have you read the message of Darren Rhodes today ? He used SMILES and by
pasting them into ChemDraw (see method below) it is very clear about which
structures he is talking:

[R1][C@@H](O)CNC([R2])=O
[R1]C1CN=C([R2])O1
[R1][C$##$H](O)CNC([R2])=O

However, it seems that the DEPICT program at Imperial College refuses R (and
also X) as an input.
Just as a temporary help: exchange R1 and R2 for C - than, you can see the
basic structure.
e.g.
[C][C@@H](O)CNC([C])=O
[C]C1CN=C([C])O1
[C][C$##$H](O)CNC([C])=O

--------yesterday's message---------
Dear friends,
Thank you very much for all your important answers.

I understood that using SMILES is the easiest way to tell about the
structure of a molecule in text emails.
Jonas gave us a series of important links.

Additionally, a SMILES tutorial can be found at:
http://www.daylight.com/dayhtml/smiles/

I hope that from now on someone asking for help on ORGLIST will
FIRST make a SMILE string and include it in his/her message.

If you have ChemDraw you can create and paste SMILES by yourself.

Creating:
select the whole molecule, edit, copy as, SMILES
Pasting
edit, paste special, SMILES

If you use SMILES, it is easier for us to understand your query.

Thank you for your co-operation.
Michael


-----Original Message-----
From: Jonas Nilsson [mailto:jonni$##$ifm.liu.se]

One great way is to use Smiles. It works for most structures. For instance i
draw dibenzylamine at:
http://www.orgchem.uni-essen.de/Chemie_im_WWW/me.html
And get the string:
C(=CC=C1)C(=C1)CNCC(C=C2)=CC=C2

This could then be cut out and depicted by the reciever at:
http://www.ch.ic.ac.uk/daycgi/depict
This will get the structure back.

Or even depict is yourself and send the URL:
http://origin.ch.ic.ac.uk/daycgi/depict?43283d43433d43312943283d433129434e43
4328433d4332293d43433d4332

This is a good way of doing it.
/jN


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