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primaryodors / primarydock

PrimaryOdors.org molecular docker.
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Protein coupling #300

Closed primaryodors closed 1 year ago

primaryodors commented 1 year ago

Code changes copied from ssepeq's most recent branch.

Does not include the internal residue contacts that should also be ensured:

1.60 - 7.66
2.39 - 3.46
2.42 - 3.42
2.53 - 3.32
3.30 - 4.54
3.36 - 6.47
3.40 - 6.48
3.56 - 5.60
45.47 - 6.62
45.49 - 7.41
primaryodors commented 1 year ago

Pre-merge testing.