Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Why the transformation matrix u and t are all zeros? #393

Open
zzz14 opened this issue Dec 6, 2024 · 6 comments
Open

Why the transformation matrix u and t are all zeros? #393

zzz14 opened this issue Dec 6, 2024 · 6 comments

Comments

@zzz14
Copy link

zzz14 commented Dec 6, 2024

I tried to align two proteins using easy-search and get the transformation matrix by --format-output 'u,t', but I got results like "0.000,0.000,0.000,0.000,0.000,0.000,0.000,0.000,0.000 0.000,0.000,0.000".

@milot-mirdita
Copy link
Member

They shouldn't be all 0.
Can you please post the steps you executed so we can try to reproduce this.

@zzz14
Copy link
Author

zzz14 commented Dec 6, 2024

I put the attached two pdb files (github doesn't allow .pdb extension, so I changed the extension to .txt when uploading here) under the tmp folder. Then, I run the command

6fje_B_protein.txt
4x6k_A_protein.txt

/path/to/foldseek/bin/foldseek easy-search tmp/6fje_B_protein.pdb tmp aln tmpFolder --format-output 'query,target,alnlen,mismatch,qstart,qend,tstart,tend,cigar,bits,u,t'

This is the result I got

6fje_B_protein	6fje_B_protein	624	0	1	624	1	624	624M	6105	0.000,0.000,0.000,0.000,0.000,0.000,0.000,0.000,0.000	0.000,0.000,0.000
6fje_B_protein	4x6k_A_protein	660	271	25	535	1	475	7M4D4M1D5M1I15M5I5M7D9M1D5M7I5M1D11M14D10M5D6M4D6M2D6M21D3M42D5M27D26M10I6M5D9M10I3M3I9M1D13M4I7M1I4M2D2M16I8M10I15M7I6M4I6M1I2M2I13M6D4M2D4M1I7M4D5M16I9M6I4M9I9M34I12M19I3M7I11M1I14M2I3M3I3M6I7M	56	0.000,0.000,0.000,0.000,0.000,0.000,0.000,0.000,0.000	0.000,0.000,0.000

@hughhigin
Copy link

hughhigin commented Dec 7, 2024

If it's helpful I just tried downloading and running the commands (my foldseek version is ca58f9b) and my output looks normal:

aln.txt

I tried installing the latest version (0dd4b7f) and it produces the same bug

aln_v2.txt

So it appears to be a bug introduced more recently, at least after june.

@martin-steinegger
Copy link
Collaborator

martin-steinegger commented Dec 7, 2024

Thank you for reporting. @sooyoung-cha could you please have a look. It seems your filter is overwriting the u,t for complexes.

martin-steinegger added a commit that referenced this issue Dec 8, 2024
@martin-steinegger
Copy link
Collaborator

I have fixed this issue. Could you please try the newest version?

@zzz14
Copy link
Author

zzz14 commented Dec 9, 2024

It works now. Thank you very much!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

4 participants