User 20757c93f1
21-08-2009 12:57:25
Hello,
Is is possible to add a generic ring system (isolated or fused) to a Markush structure in Marvin 5.2.4?
How to limit homology groups by the occurence of a certain element type?
Please have a look at the attachment for an illustration.
Many thanks,
Torsten
ChemAxon a3d59b832c
22-08-2009 11:01:33
Hello Torsten,
| schinto wrote: |
Is is possible to add a generic ring system (isolated or fused) to a Markush structure in Marvin 5.2.4? |
No, unfortunately it is not readily available yet. However, you can add all ring homology groups (Cycloalkyl, Aryl, Heterocycle, Heteroaryl, FusedHetero) into an R-group definition and use that R-group instead.
Alternatively,
you can create a user-defined homology group for that:
http://www.chemaxon.com/jchem/doc/user/homologygroups.html#customizedef
| schinto wrote: |
How to limit homology groups by the occurence of a certain element type? |
It is not possible currently, but it is planned in a later version.
Best regards,
Szabolcs