make show_contacts.py work with JSON output #8
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- require Python 3.7+ (dictionaries are ordered) - update README.md with version information for dependencies
This information is needed for displaying the contacts in PyMOL.
- accept the new JSON output from Arpeggio to generate the .pml file - add selection arguments for showing the interactions
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small update: the initial |
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there is clearly no interest in this, so I'm closing the PR. |
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This main purpose of this PR is to update the
show_contacts.pyhelpers script so that it can use the new JSON output generated by this version ofarpeggio. These changes are in the last two commits; I think I migrated everything correctly but as usual there are no guarantees ;)Along the way I fixed a few other issue I came across in addition to some codestyle changes (e.g., sorting imports) and refactoring (running
pyupgrade, removingOrderedDict, etcetera). If you accept those, the minimum required Python version will be 3.7; I update the README already for this and documented the requirement for OpenBabel v2.x..