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samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges
https://samplchallenges.github.io
MIT License
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No directory `MoleculeFiles` in `SAMPL6/host_guest/` #1

Closed slochower closed 7 years ago

slochower commented 7 years ago

The file SAMPL6/host_guest/CB8AndGuests/README.md says:

The other files were generated by the OpenEye toolkits using the Jupyter notebook provided in "../MoleculeFiles"

(Same thing for SAMPL6/host_guest/OctaAcidsAndGuests/README.md)

I don't see that directory, but I think you may mean the notebook GenerateInputs.ipynb in ../ (i.e., SAMPL6/host_guest/GenerateInputs.ipynb) . I'm leaving a note here in case other people are looking for the directory.

davidlmobley commented 7 years ago

Thanks, yes. I was originally working on this in a separate folder and reorganized slightly when I migrated to GitHub; I forgot to change the documentation when I did so. Possibly I also have a similar path problem in my Jupyter notebook. You're correct, it means ../ in this case. I'll do a PR to fix this sometime soon.

davidlmobley commented 7 years ago

Closed via #2