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primaryodors / primarydock

PrimaryOdors.org molecular docker.
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Bridging fix #473

Closed primaryodors closed 1 month ago

primaryodors commented 1 month ago

Fixes BRIDGE and STCR directives in config files so that they take effect as expected.

Note that these directives are run once per pose, so different output poses might show bridged side chains in slightly different positions in 3D space.

primaryodors commented 1 month ago

All tests passing.