Remove unwanted symbol from group (standardizer)

User 8a4ea06b5e

01-02-2011 18:07:07

Hello, 


I have a few structures with "^" symbols in the group names that I would like to remove via standardizer. Can this be done? Thanks in advance.

ChemAxon d76e6e95eb

01-02-2011 18:16:06

Those labels seem alias covering another atom or abbreviated groups containing that ^ character in their symbols, but I am not sure. Can you please upload an example file as well (mrv or mol) to see how are those labels represented in the file?

User 8a4ea06b5e

01-02-2011 18:23:24

Here is the mol file. Thanks again

ChemAxon d76e6e95eb

01-02-2011 18:42:36

Well, it is an abbreviated group with a symbol that contains a ^ character, probably accidentally. What you can do at the moment with Standardizer is to ungroup all abbreviated groups.


However, if you do not want to ungroup all groups, just selectively these, we can enhance our Abbreviated Group Checker action in the Structure Checker application to detect groups with the given abbreviation only and the ungroup fixer will do the job selectively.


If you would like to rename those abbreviations (removing ^), then we need to implement a new fixer that can rename those symbols.