New Homology Group

Hi,

I have created and copied the new homology group to the required directory as explained in "Defining NEW User-defined Homology (or Protecting) groups" section of http://www.chemaxon.com/marvin/help/calculations/homologygroups.html.

Now, If i want to use that in markush enumeration, how do i do it?

One more thing that i observed in Marvin 6.1 compared to previous versions is that the jar file "MarvinBeans-enumeration.jar" is missing from the libs directory. Is it merged with anything else?

Thanks in advance.

Warm regards,

Anil

Hi Anil,

What way would you like to use Markush enumeration (from API, from ChemAxon's GUI application, ...) ?

In general, locally running applications (e.g., Marvin Sketch, Instant JChem) execute Markush enumeration according to the user-defined homology definitions - if they exist.

From JChem 6.1 com.chemaxon-enumeration.jar substitutes MarvinBeans-enumeration.jar.

Best regards,

Krisztina

Hi,

Thanks for the quick turnaround.

I am presently exploring the Markush features in Chemaxon, so would like to go with "Marvin Sketch" as of now.

I created "nucleobase.mrv" as given in documentation, however when i look to define the same as part of an R-group definition i couldn't find the name in drop down section of "special nodes" in Advanced tab of "Periodic system" window of marvin sketch.

Please find attached image (not a complete markush structure). Now i want to enumerate this, but i couldn't. Am i missing anything?

Thanks in advance.

Best regards,

Anil

Hi Anil,

Unfortunately, the new homology group will not be included in this list. You have to write the name of your new homology group into the Custom property's Value text box and click on 'Pseudo' on the Advanced tab. Then click on the canvas to place the new homology group there.

Markush enumeration can be started from Calculation>Markush enumeration> menu point.

Best regards,

Krisztina

Hi Krisztina,

Thanks for the quick response.

I have followed your instructions and created the markush as needed. However, when i enumerate the same i couldn't get the enumerated structures. In fact the image in my last post was generate by using the 'pseudo' option.

Please find attached the Markush Structure (mrv) and the output in image (jpg) format produced with markush enumeration.

Best Regards,

Anil

Would you attach nucleobase.mrv, too?

Krisztina

Hi Krisztina,

Apologies, I found an error in "nucleobase.mrv" that i created. I corrected the same and markush enumeration now  works fine.

Thanks for your support. Have a nice day.

Thanks,

Anil