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volkamerlab / KinaseFocusedFragmentLibrary

Subpocket-based fragmentation and recombination of kinase inhibitors
MIT License
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KLIFS download is missing KLIFS_export.csv #29

Closed mbackenkoehler closed 1 year ago

mbackenkoehler commented 1 year ago

I have downloaded the mol2 version of KLIFS. The KLIFS download page somewhat changed, but I think got the filtering options right. However, there does not seem to be a KLIFS_export.csv in the KLIFS_download.zip I got. Did I get something wrong here?

dominiquesydow commented 1 year ago

Hi @mbackenkoehler,

Thanks for raising this issue - our instructions are missing some more details on how to download all the necessary data. I updated the README accordingly, please check: https://github.com/volkamerlab/KinaseFocusedFragmentLibrary/commit/4de4dd5797a7bd0a108b3c75cea19b56382b7f15

In short - you have to download the KLIFS_export.csv file separately via "DOWNLOAD CSV" and place it in the folder you already downloaded.

If this solves the problem, please close this issue, thanks!

mbackenkoehler commented 1 year ago

Thanks! This solves the issue.