Bug in src/pdbcleanchainstandardizationutils.py

fatipardo / PDBClean-0.0.2

PDBClean helps create a curated ensemble of molecular structures

MIT License

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Bug in src/pdbcleanchainstandardizationutils.py #154

Open gdkwxn opened 6 days ago

gdkwxn commented 6 days ago

When running the script for Step 3, the script crashes.

1) Select Standard Sequences from a chosen input structure -> 2) Select input structure -> 3) Remove chains from Standard Sequences -> crash

It's a typo in the code,
- Standard_Sequences = remove_chains_from_standard(Standard_Sequence)
- It should be "Standard_Sequences"

gdkwxn commented 6 days ago

I believe this is a bug present for everyone who runs it, but if someone else would like to see if it crashes for them too, that would be great!

I also tested it with the fixed typo and it no longer crashed

gdkwxn commented 6 days ago

take

fatipardo commented 6 days ago

I believe this is a bug present for everyone who runs it, but if someone else would like to see if it crashes for them too, that would be great!

I also tested it with the fixed typo and it no longer crashed

Good catch @gdkwxn !

I hadn't tried those particular options before.