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RuntimeError #1052

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jmroldan1975 opened this issue Mar 13, 2023 · 2 comments
Closed

RuntimeError #1052

jmroldan1975 opened this issue Mar 13, 2023 · 2 comments

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@jmroldan1975
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Hi, I have just received this error message when running KDEEP: RuntimeError: Could not find any of the following fields dict_keys([None]) in SDF file /data/in/tmpc79cbhz2.sdf and ligand C23H25N3O5. I am attaching the ligand and receptor used. Can you check what happens? Thank you very much.
files.zip
@stefdoerr
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Right, thanks for pointing it out. I'll fix it ASAP

@stefdoerr
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Ok it's fixed now. Thanks a lot for the notification

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@stefdoerr @jmroldan1975