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DeepRank / deeprank

This repository has been integrated in https://github.com/DeepRank/deeprank2
Apache License 2.0
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some i-rmsd values in haddock stats files are not correct #73

Open LilySnow opened 5 years ago

LilySnow commented 5 years ago
This issue is not related with deeprank code directly. It is to record a data error introduced when we use haddock to generate data. Some i-RMSDs reported in XXX.stats do not seem to be correct. For example, `1ACB_cm-it0_9323.pdb` has an irmsd of 8.888 in `1ACB.stats`, but deeprank calculated 17.632. I used ProFit and got the same number as deeprank. I got the refe pdb and the model pdb from 1ACB.tgz, and i-zone files from `HADDOCK-ready/1ACB/ana_scripts/target.izone` I put all these files under `/projects/0/deeprank/BM5/irmsd_debug` on cartesius. This error is confirmed by Alex.
amjjbonvin commented 5 years ago

Well - this is not a DeekRand code issue. Not doesn't make sense to open an issue for this here. It's more for us to correct those values before we make any decoys public.