User 2881c56d10
11-04-2007 10:15:03
Please Help me out with the enumaration of the Markush Structures of the Cmemicals..
I am usnig the student licencse of JChem Package.
Please help ASAP
Shreyas Karnik
dypbbi _at_ dypatil.edu
ChemAxon a3d59b832c
13-04-2007 13:14:29
Hi Shreyas,
You can use the "enumerate.bat" and "count.bat" command-line tools from the JChem distribution. Without argument they give a help. We will send you the additional required license keys in email.
We plan to move the functionality to a calculation plugin soon, so you will be able to enumerate Markush structures straight from the Marvin GUI from version 4.2.
Best regards,
Szabolcs
ChemAxon a3d59b832c
13-04-2007 16:09:23
There is also an alpha version of Marvin where the Markush enumeration plugin is already available. You can access it here:
http://www.chemaxon.com/shared/alpha/marvin/index.html
In that version, Markush enumeration can be used through menu "Tools > Markush".
I hope this helps.
Szabolcs