steineggerlab / foldmason

Multiple Protein Structure Alignment at Scale with FoldMason
https://search.foldseek.com/foldmason
GNU General Public License v3.0
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FoldMason not running #7

Open KristiPhammie opened 1 month ago

KristiPhammie commented 1 month ago

I'm attempting to use the FoldMason webserver, but the job keeps failing. I thought it had to do with the format of my pdb file but even when I downloaded the example .pdb file from FoldMason the job still failed.

Here is an header example from my pdb file and FoldMason's.

MIne: HEADER STox_2_AFP ATOM 1 N ASP A 1 16.203 5.684 -10.594 1.00 56.91 N
ATOM 2 CA ASP A 1 15.141 5.102 -9.781 1.00 56.91 C
ATOM 3 C ASP A 1 13.781 5.703 -10.133 1.00 56.91 C
ATOM 4 O ASP A 1 13.602 6.922 -10.070 1.00 56.91 O
ATOM 5 CB ASP A 1 15.430 5.301 -8.289 1.00 56.91 C
ATOM 6 CG ASP A 1 16.219 4.152 -7.684 1.00 56.91 C
ATOM 7 OD1 ASP A 1 16.344 3.088 -8.328 1.00 56.91 O

FoldMason: MODEL 0 REMARK Name: d1q1fa_ ATOM 1 N ARG A 1 25.353 28.816 43.901 0.00 0.00 N
ATOM 2 CA ARG A 1 26.378 29.822 43.359 0.00 0.00 C
ATOM 3 C ARG A 1 26.435 29.433 41.867 0.00 0.00 C
ATOM 4 O ARG A 1 26.387 30.335 41.037 0.00 0.00 O
ATOM 5 N PRO A 2 26.475 28.149 41.542 0.00 0.00 N

Am I doing something wrong? Is anybody encountering the same problem?

milot-mirdita commented 1 month ago

Are you submitting only one or multiple structure files? We are not yet checking for at least two uploads.

KristiPhammie commented 1 month ago

I'm uploading one pdb file with 10 different proteins.

milot-mirdita commented 1 month ago
Screenshot 2024-08-16 at 2 25 23

Could you please share the URL of the failed submission. Then we can check out what went wrong on our side.

KristiPhammie commented 1 month ago

https://search.foldseek.com/queue/_-dOUOC2E48Ekhk6sy-nXBRWozf5gaSiMOVFxg

milot-mirdita commented 1 month ago

Thank you, I understand the issue now. Currently, you have to upload separate/individual PDB files. We don't support multimodel PDB files currently.

It looks like a good idea though to support these.

KristiPhammie commented 1 month ago

Ah, I see. Thank you!