What are the occupancy and B-factor fields on protein_out.pdb?

[carajillu]

Been looking at the manual and online, but can't figure out what the numbers on those columns (for atoms and alpha spheres) correspond to.

For context, I am referring to protein_out/protein_out.pdb if I run: fpocket -f protein.pdb.

Thanks

[VonBoss]

Here are a couple of resources on the PDB format. I don't know what you are trying to do or how far along you are, but it's usually a good start to open the PDB files in PyMOL so you can visualize the structure.

https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/pdbintro.html

https://www.biostat.jhsph.edu/~iruczins/teaching/260.655/links/pdbformat.pdf

[carajillu]

I was asking specifically about the values that fpocket puts in those columns (they are different than those in the input pdb). They seem to be calculated by fpocket but not sure what they mean exactly

[pschmidtke]

The B factor columns probably contain ABPA values (almost buried polar atom) if I'm not mistaken, would have to double check again. For more reading on this:
https://pubs.acs.org/doi/abs/10.1021/ja207494u