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pierrepo / PBxplore

A suite of tools to explore protein structures with Protein Blocks :snake:
https://pbxplore.readthedocs.org/en/latest/
MIT License
28 stars 17 forks source link

Consider using docker to ease installation, distribution and OS compatibility #67

Open jmaupetit opened 9 years ago

jmaupetit commented 9 years ago

Please share your thoughts about dockerizing PBxplore and push your container to the official docker registry? It would be nice to be able to use it after a simple :

$ docker pull pierrepo/pbxplore

Like:

$ docker run pbxplore PBassign.py -p demo1/3ICH.pdb -o 3ICH

If you are interested, I can help with that.

alexdb27 commented 9 years ago

works (in principle) with all OS or needs specific libraries ?

jmaupetit commented 9 years ago

Docker works in all OSs, see https://docs.docker.com/installation/

jbarnoud commented 9 years ago

I have plans to edit a docker file at one point after I write a setup.py. I would be very happy if someone else could do it, though.

pierrepo commented 9 years ago

Thank you for your suggestion @jmaupetit . However, as mentioned by @jbarnoud, we are currently focusing on the distribution of PBxplore through Pypi. I guess docker will be the next step ;-)

alexdb27 commented 9 years ago

Excellent !

pierrepo commented 8 years ago

Probably worth looking: BioShaDock: a community driven bioinformatics shared Docker-based tools registry (http://f1000research.com/articles/4-1443/)