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yaledeus / ElliDock

This repository contains the code for our paper "Rigid protein-protein docking via equivariant elliptic-paraboloid interface prediction" (ICLR 2024)
MIT License
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A problem when implement dockQ, /evaluate/DockQ/scripts is not exist. #12

Closed Ming-Qin-tech closed 4 weeks ago

Ming-Qin-tech commented 6 months ago

After download DockQ from https://github.com/bjornwallner/DockQ.git. their are "examples LICENSE pyproject.toml README.md run_test.sh setup.cfg setup.py src testdata update_testdata.sh" exist. But your evaluate/dockq.py needs FILE_DIR = os.path.split(file)[0] FIXEXEC = os.path.join(FILE_DIR, 'DockQ', 'scripts', 'fix_numbering.pl') DQEXEC = os.path.join(FILE_DIR, 'DockQ', 'DockQ.py') CACHE_DIR = os.path.join(FILE_DIR, 'dqcache')

obviously there is no "/scripts" and "fix_numbering.pl" exists, nor "\Dock" and "\DockQ\DockQ.py" . Could you provide the folder of Dock you used cuz it seems like you have modified it which is different from https://github.com/bjornwallner/DockQ.git. Please provide it so that we can reimplement this interesting work!

yaledeus commented 6 months ago

I found a version change of DockQ src code in https://github.com/bjornwallner/DockQ.git a few weeks ago. Maybe you can try the old version in https://github.com/bjornwallner/DockQ/releases/tag/v1.0.

Ming-Qin-tech commented 6 months ago

OK， thx！ I'll check it right now! good night!