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gitter-lab / metl-sim

High-throughput framework for running molecular simulations for METL
MIT License
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Fixed a small typo in readme. rosetta main dir should include / #2

Closed Ferryistaken closed 3 months ago

Ferryistaken commented 3 months ago

I saw that there was a small typo in the README file, the rosetta main directory should include a forward slash at the end, as code/prepare.py line 55 is:

clean_pdb_script_fn = abspath(join(rosetta_main_dir, "tools/protein_tools/scripts/clean_pdb.py"))

I know it's a small change, totally understandable if you don't want to accept.

agitter commented 3 months ago

Hi @Ferryistaken, thanks for looking through the code and documentation carefully. We're happy to take pull requests to clean things up.

In this case, did you encounter an error? I believe join automatically handles the directory separators:

>>> from os.path import join
>>> join("/Users/test/rosetta_bin_mac_2021.16.61629_bundle/main", "tools/protein_tools/scripts/clean_pdb.py")
'/Users/test/rosetta_bin_mac_2021.16.61629_bundle/main/tools/protein_tools/scripts/clean_pdb.py'
Ferryistaken commented 3 months ago

You're absolutely right, can't believe I made this small PR and wasn't even right 😅

I assumed it was a string join function, not a path aware join, sorry about that!

agitter commented 3 months ago

No problem 😄. We're happy to know people are looking at the code.