Dear all,

At the software company that I work for (Culgi B.V., Leiden, The Netherlands, 
​https://www.culgi.com/), we have been using Open Babel for a while now, for 
conversion between our file format and other formats. To get this working, we 
have added a file format to the Open Babel source, and we currently build a 
'custom' executable with this extra file.

To comply with the GNU GPL we do not link our proprietary software to Open 
Babel, but just run the executable using input and output files, and we've 
always made the modified Open Babel source available to our users under the GPL.

Of course in the long run it would be easier for us, and for our users, to have 
this file format support integrated into the regular Open Babel distribution. 
We'd like to contribute the code that we use for that. I have attached a patch 
that should work against the latest source from GitHub.

As it will be primarily our customers and ourselves who will benefit from this 
(at least at this time) we're willing to assume responsibility for maintaining 
this code for the foreseeable future.

We could not really find hard guidelines for coding standards, or what kinds of 
tests are desired, so I'd appreciate any feedback on that. The code in the 
patch is based on the exampleformat.cpp template and was further developed by 
two colleagues and myself at Culgi. We presently test conversion to and from 
the MOL and MOL2 formats in our own test suite.

I can imagine that some kind of release form or other document from my employer 
is required before the code can be integrated into the regular Open Babel 
source. I'd be very grateful if anyone could guide us through any formalities 
here.


Kind regards,

Paul Becherer

Development Scientist

Culgi B.V.
Galileiweg 8
2333 BD Leiden
The Netherlands

Phone: + 31 71 33 22 056
www.culgi.com



Attachment: cofformat.patch
Description: cofformat.patch

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