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
dypbbi _at_ dypatil.edu
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.
There is also an alpha version of Marvin where the Markush enumeration plugin is already available. You can access it here:
In that version, Markush enumeration can be used through menu "Tools > Markush".
I hope this helps.