[cml/ccml-discuss] AAM numbers, reaction centers, polymers

[Dmitry P. <dp...@gg...>]

Hello,

I was wondering where I can get any examples on
the following features of CML. Also, links to software
(chemical editors/converters) that support these
features would be very useful. I tried MarvinSketch --
it does not seem to do any of these well.

1. AAM numbers in a separate section referenced by
"atomMap". This means the cases where USE_IDS is
not sufficient.

2. Reaction centers (known from Rxnfile notation).
I was not able to find them in the CML 2.4 spec...

3. Polymers. I read about the headType and tailType,
but it would be more understandable with an example.
What is, for instance, the CML representation for
polystyrene?


Thanks very much. I would appreciate any pointers.

Best regards,

Dmitry