incomplete test_output - Githubissues

rdk / p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

https://rdk.github.io/p2rank/

MIT License

242 stars 34 forks source link

incomplete test_output #71

Closed SusuSui closed 5 months ago

SusuSui commented 5 months ago

Hi, I tried running p2rank from bash. I added a pdb file to "test_data". However, for "test_output" I did not receive the "structure.pdb_predictions.csv", "structure.pdb_residues.csv". In the "visualizations" I did receive the structure.pdb.pml. When I run the exact same file through PrankWeb I received them. Would you have any idea why it is like that?

Thanks in advance!

rdk commented 5 months ago

Hi, Which version of P2Rank are you using? Is it downloaded from https://github.com/rdk/p2rank/releases or built from sources?

SusuSui commented 5 months ago

It was downloaded from that url and the version is the latest 2.4.1

rdk commented 5 months ago

Unfortunately I wasn't able to reproduce it. Could you provide more details?

What operating system are you running on?
What is the exact command that produces this behaviour?
If you can, provide the structure file itself

SusuSui commented 5 months ago

Hi I tried running it on a different machine and it worked there. That means there has to be some internal problem with my machine which is not connected to the program. I will try to resolve it. Anyways thank you for the help!