llnl / llnl/FAST

How can I download "INDEX_core_data.2016" from PDBbind_2016_plain_text_index?

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Python
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Description

From FAST/data_util/parse_affinity_data.sh, you use the code "
grep -v '#' $path/PDBbind_2016_plain_text_index/index/INDEX_core_data.2016 | cut -f 1 -d ' ' > core.csv"

But, I can't find that "INDEX_core_data.2016" from PDBbind_2016_plain_text_index

I think that is missing,, There is no that file on PDBbind dataset v2016,, What should I do?

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Research direction

Start with FAST/data_util/parse_affinity_data.sh and inspect the referenced PDBbind_2016_plain_text_index/index path. Verify whether INDEX_core_data.2016 is absent from PDBbind v2016, then document the correct source or update the reference so the command can run.

Written by the indexing model from the issue text.

Assessment

Tech stack
shell
Domain
data
Issue type
Bug
Difficulty
2/5
Estimated time
1-3 hours
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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