singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.
MIT License
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import for enzyme/protein data from uniprot #10

Closed cleberecht closed 7 years ago

cleberecht commented 8 years ago

Evaluate the UniProtJAPI or use REST and an xml parser to get entries from the uniprot.

cleberecht commented 8 years ago

I cannot get the UniProtJAPI to work correctly and it has a huge dependency overhead (bummer :disappointed:). Probably xml is the better alternative.

Next steps:

cleberecht commented 8 years ago

Bare Bones parser is ready .

Attributes to cast: required:

nice to have

Subunit should be needed to calculate diffusion speed. Lots of proteins are naturally occurring as dimers or similar. This should be parsed and used to calculate something as effective weight.

Edit 1: Commit d84688c adds basic parser and features. Edit 2: Commit 9418a33 adds functionality.

cleberecht commented 7 years ago

Parsing currently works as expected. The remainder of the attributes to cast have been moved to separate issues, so they can be handled later.