Re: [Jmol-developers] MOLfile exported

[Egon W. <ego...@gm...>]

Hej Angel,

2010/12/18 Angel Herráez <ang...@ua...>:
> Bob wrote:
>> A satisfying day! After my development laptop died yesterday, that is especially good new.
>
> So you melted it down?   ;-D

Would not surprise me either :)

>> Angel, I need you to test those V2000 files to see if they really do load into that viewer.
>
> Sure. Later this weekend
> I'm trying t find if there is a standard "validation" of MOLfiles, it seems not. So I'll try whatever programs I have.

Angel, please have a look at this blog post I made a bit earlier:

http://chem-bla-ics.blogspot.com/2010/01/validating-mdl-sd-files-and-symyx.html

Egon

-- 
Dr E.L. Willighagen
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University of Cambridge
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