Re: [Bkchem-user] Documentation on the "Fragment" option

[Beda Kosata]

Hi Jan,

the proposed use of fragments for mass spectrum interpretation is great.
I have already been working on some code for mass-spec and your idea
fits very nicely.
I will try to put it into the next release.

Cheers

        Beda

p.s.- until now the fragments were not of much use - they get created
when an group (such as COOCH3) is expanded or when the user creates them
explicitly. I used them in my personal projects, but your idea would be
the first really useful one :)

Jan-Moritz Adam wrote:
> Hi out there!
> 
> 
> The software Chemdraw (Cambridge Soft)
> has the nice feature to display mol values 
> for molecule fragments.
> Which is pretty cool when you want
> to interpret a mass spectrum.
> 
> 
> So I thought whether Bkchem has
> a simmilar feature.
> 
> In the "Chemistry"-Menu I found
> "Create fragment" and "View fragments".
> 
> But I was not able to find out how to
> display information about these fragments.
> (Sure the view fragment menu displays the fragments
> with nice orange dots).
> 
> Is there any documentation on this?
> 
> 
> Maybe something like this is possible:
> When you fragment a molecule and you go on
> Chemistry/Info
> additionally to the whole molecule you
> get all the information about the molecule fragments?
> 
> 
> Regards
> 
> Jan
> 
> 
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-- 
Bedrich Kosata
Laboratory of Informatics and Chemistry
ICT Prague
Czech Republic

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