PDB100 database compatability issues

[martin-steinegger]

Multiple users having issues using the PDB100 database with HHblits (v3.3) (see soedinglab/hh-suite#275). I noticed that PDB100 does not contain the the _a3m database. This causes the per-merge to crash.
Is there any reason to not include the a3m file?

[minkbaek]

Oh, we simply didn't include it due to the file size (*a3m.ffdata: 634G). It seems its essential for hhblits v3.3. We'll definitely update the pdb100 database to include *_a3m.ff[data,index] file.

[martin-steinegger]

Thank you for the fast answer. Its a a fair point that the files size is too huge.
You could probably run hhfilter to reduce it significantly.
We will also change the behavior of hhsearch/hhblits and printing a warning instead of crashing.

[moonblue333]

This is OK for this issue:
wget https://github.com/soedinglab/hh-suite/releases/download/v3.2.0/hhsuite-3.2.0-AVX2-Linux.tar.gz --no-check-certificate
tar xvfz hhsuite-3.2.0-AVX2-Linux.tar.gz

[minkbaek]

I've updated pdb100 databases (both 2021Mar03 and 2020Mar11 version) with *_a3m.ff[data,index] files.