matthiaskoenig / brendapy

BRENDA parser in python
GNU Lesser General Public License v3.0
19 stars 6 forks source link

Proposed integration of a new feature #64

Open noparis opened 5 months ago

noparis commented 5 months ago

Dear Matthias,

I have developed a piece of software (https://github.com/brsynth/extractor_brendapy) that uses your parser to extract some parameters from their EC in a separate, redundancy-free way. Each piece of information is saved in a simple dictionary, and we've chosen the JSON format for file saving. For example, when we wish to have a list of all KMs, the pipeline will make a dictionary for each KM with its substrate known to the CE. It is also possible to enter a list of CEs. The data saved are those where there is a value for all the desired parameters. In cases where there are several different values for the same parameter, a dictionary is created for each different value, as in the case of comments.

There's also a test file, for future modifications.

We'd like to know if you were interested to integrate our feature(s) in your package, we can do it and submit a PR.

Afterwards, we could also work on a conda package factoring.

If you have any questions, please do not hesitate to contact us.

Yours respectfully