adding a script for threading a sequence onto a structure #206
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In protein design a common task is to thread a sequence onto a template protein with no gaps and generate a full atom structure. It turns out that AI models are an extremely time-efficient way to do this relative to other approaches.
This PR implements this as a new script, called
thread_sequence.py
, which implements this type of threading. I wrote it as a separate script since it is a sufficiently different task from normal inference. In order to reduce code duplication, some of the functions used by both scripts were pushed into a new utility module.I also removed a bunch of code from the
__init__.py
files to resolve some odd import issues i was having. The code in question shouldn't be necessary, if it's serving a specific purpose lemme know and i can figure out another approach.Last, I'd really appreciate comments about the structure of this, I think there's probably a better way to organize it but im not seeing it right now