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Re: chemical drawing packages



Am Freitag, den 29.12.2006, 08:22 -0800 schrieb Francesco Pietra:
> --- Daniel Leidert wrote:

[ChemDraw files]
> > Could you do me a favour and send me such files? I'm
> > still searching for
> > a good description of the file content to generate
> > rules to recognoize
> > this file type via the shared-mime-info database
> > system.
> > chemical/x-chemdraw uses the same file extension as
> > application/x-chm
> > and so I need to write down some rules to detect the
> > difference between
> > these file-types. So if you have a large collection
> > of such files, you
> > could help me to solve this issue.
> 
> I am attaching several cdx files (all are imported
> quite correctly by the package I use under wine on
> debian i386 etch). 

Many thanks. I've added chemical/x-cdx and chemical/x-cdxml to the
chemical-mime-data package and tested with your files.

BTW: Does anybody know, if there is a reserved namespace for CDXML?

[..]
> Finally, untitled.cdx and untitled.cdxml were sent
> recently to me as trial (prepared with chemdraw 8
> under Windows XP). They behave as TheSource, etc,,.
> above. Thye also show that cdxml does not solve the
> problem.

Hm. untitled.cdx seems to have a broken header. The docs say, a .cdx
header consists of 8 bytes ("VjCD0100" or "56 6A 43 44 30 31 30 30"), 4
bytes ("04 03 02 01") and 16 bytes set to zero. But byte 24 is not zero.

[..]
> > Open Source lives from people, that take part in it
> > and join the
> > development. 
> 
> I wish I were able to contribute to programming;
> unfortunately I am not.

Hm. There is also data mining/collecting, translation, documentation,
testing/bug-reporting and mayn more things, one could do.

> Hope the files I sent are useful.

Yes. Many thanks.

> Do not hesitate to
> ask me other files (I used IsisDraw for years).

Oh. I always need files. E.g. test files for the following MIME types:
chemical/x-cerius, chemical/x-chemdraw (.chm), chemical/x-genbank,
chemical/x-mif, but also many other types [1]. Or if one has a good idea
for magic pattern for e.g. SMILES files, don't hesitate to contact me.

[1] See http://sf.net/projects/chemical-mime and it's README/TODO files
and src/chemical-mime-database.xml.in.

Regards, Daniel



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