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rigdenlab / SIMBAD

Sequence Independent Molecular replacement Based on Available Database
http://simbad.rtfd.io
BSD 3-Clause "New" or "Revised" License
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Fixes SSL issue and additionally adds in some code for eRMSD calculation #76

Closed hlasimpk closed 6 years ago

hlasimpk commented 6 years ago

For UNIX systems I'm checking if the SSL_CERT_FILE environmental variable has been set and if not I am setting it manually. I'm doing this in each of the command line scripts but if you can think of a better way to do it let me know.

The eRMSD code is still a work in progress as I need to decide on what my defaults are, but it should be an improvement over the current code as it takes the size of the search model into account when determining the RMSD.

fsimkovic commented 6 years ago

I can't comment on the files itself, but for the SSL error move the check to simbad.__init__.py, which is the best place to put it. This fixes it when the SIMBAD environment is loaded, regardless of which module is initiated.

hlasimpk commented 6 years ago

Thanks, I thought this might be better suited in a different place! I'll move it now