Konstantin Tokarev wrote:
Hello!

I think every chemist which wants to use Linux faces with one serious problem: 
structural formulae cannot be inserted into the text in editable way. Also I 
think that only OpenOffice.org can provide this functionality today.

In MS Windows there are many GUI based editors, which can be used to create and 
edit formulae incorporated into documents. In *nix-like systems there are no 
OLE-like interfaces. Only possibilities for user are to insert formula as 
image, SVG, or use OLE objects, incorporated in files which were created in 
Windows, Objects, created by external software and inserted into document 
cannot be edited after incorporation.

On the other hand, there is an extension for OpenOffice.org called 'quick 
formule', which provides a language for textual description of chemical 
structural formulae. It constructs formula as OOo Draw object from text string. 
But created object cannot be edited as chemical structure. If a possibility to 
store this text string alongside with drawing, it could be used for further 
edit, and required functionality would be achieved.

Hi Konstantin.

I have looked into providing a somewhat similar functionality for protein sequences, only in Calc. I would like to custom-render Calc cells so the cells would display a graphical view of a protein sequence instead of the underlying text. To translate this to your needs, imagine that you could enter "ph'4"cy(2=O)(5=O)4"ph(4-Oh)(5-Oh)" in a spreadsheet cell and apply a special cell formatting that lets Calc automagically render the chemical structure directly in the cell (adding images to a spreadsheet doesn't work since the images do not follow the cells when you e.g. sort the underlying data).

You can follow the discussion at http://www.mail-archive.com/[email protected]/msg09260.html. Niklas Nebel suggests a method of letting an extension subscribe to events to let it update/add images to a document - this might work for you if you only consider Writer.

I haven't had time to look into this myself yet but if you are interested in supporting Calc too, feel free to e-mail me directly or post back here.

I had a look at "quick formule" and it's a very nice tool. However, to be useful in the pharmaceutical industry the "formulas" would need to be SMILES or some other standard format. Interfacing to OpenBabel or similar tools could potentially solve this.

Cheers
-- Jan

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