COO- Group

User d5c392f5d3

04-03-2013 09:05:46

I'm new to this software (v 5.11.5) and I'm trying to use an abbreviated COO- group, but I'm having no luck with it. I found the COOH group in the Insert->Groups menu, but that's about as far as I've gotten.

ChemAxon 2c555f5717

04-03-2013 11:50:32

Dear smday55!


   If you are the administrator of a Marvin Sketch Applet, tha you can use the customAbbrevGroup option, you can find more information about it here.
   If you use the desktop version you can do else: Draw the desired molecule, make an SGroup name it, and (in expanded form) drag it to the template toolbar. Now you can easily add it to the canvas any time.


I hope, I could help:
Balázs

User 870ab5b546

04-03-2013 16:15:24

These instructions don't work for me.  I am not able to drag the expanded structure onto either the simple or advanced templates toolbar.


Is there a default.abbrevgroup file in MarvinBeans?


P.S.  I edited default.abbrevgroup in our server installation to recognize COO- with leftName \S-\nOOC.  I also created a CO2- shortcut group, but it appeared as CO2- instead of CO2-.  I changed the name of the shortcut group to CO\s2\S-, but then Marvin did not retrieve it when I typed CO2- on the keyboard.  I suggest that Marvin ignore the escape characters when the user types a shortcut group name or when the groups are listed in the Groups... list.  

User d5c392f5d3

04-03-2013 18:10:01

Okay, I was able to create the COO- group, but now, when I attach it to part o fa molecule, the bond attaches in the middle of the group name (at the middle O) instead of at the C where it should be, as shown below. I saw there was a previous thread on this same subject and the solution was to edit the .jar file, however I have the (pc) desktop version and am unable to find the file referenced in the previous thread. Below is the reply to the previous thread on this subject:











ifajth wrote:

Hi Diego,


unofrtunatelly in the current versions you can not easily set the label center property on a SuperAtomSgroup. The only way to create such a group you want is to edit the default.abbrevgroup file in your marvin installation.


If you want to do so, you should locate the MarvinBeans-templates.jar file on your system it should be in the marvin_installation_dir/lib directory, the default.abbrevgroup file is inside the jar, you can edit the jar freely, since on a desktop installation there is no need to sign the jars it is allowed to modify its contents.


You should place this line into the file:


COO-    [O-]C=O    2    center=2

please be aware of the rule that the delimiter character is tab in the abbrevgroup file format, i used some spaces in this example line.


After you have edited the file, you can reach the COO- group by typeing.


In 5.10 we are planning to define an easier way to create such groups either in a separate file and maybe also from the UI.


I hope this helps.


Regards,
Istvan


ChemAxon f052bdfe3c

05-03-2013 15:57:47

Hi,


You can use a
user defined abbreviated group as it is described in the documentation:


http://www.chemaxon.com/marvin/help/sketch/sketch-basic.html#User_defined_abbreviated_groups


To render it
correctly, you have to also define the connection point and  the „leftName” of your abbreviated group:


COO-     [O-][C]=O            2              leftName=-OOC


Then save it into
a file. The newly defined file must be named user.abbrevgroup and
should be put in the %USER_HOME%/chemaxon (on Windows) or $USER_HOME/.chemaxon
(on Linux, UNIX or OSX) directory in your file system. Note that Marvin gives
priority to the user-defined abbreviated groups and overrides the default after
redefinition.


Alternatively, you can use the attached file and if you wish
you can complete it with other groups.


Best Regards,


Efi

User b791d7408d

05-02-2014 00:18:57

Hi,

I did all the suggestions/tricks you've mentioned already, and managed to have a proper
carboxylate group that I can use now - however I still have one more problem, maybe you can help.


An "extra" negative charge always stays outside of my contracted group,on both sides,
which seems to be some sort of renderering issue. This extra charge might be the [O-]
itself, but shouldn't the group name be shown while the group is in contracted mode instead
of anything else? When I expand it, everything is OK. I'm using the desktop version of MarvinSketch.


The line that I inserted to the "default.abbrevgroup" file looks like this:


COO-    [O-]C=O    2    leftName=\S-\nOOC


Thank you for your help!

Regards,
Bence

ChemAxon f052bdfe3c

06-02-2014 14:34:48

Hi,


This is a bug. Thank you for reporting it.


We will inform you when it is fixed.


Best Regards,


Efi