foldcomp compress breaks input pdb file into multiple output files

[vagkaratzas]

Hi!

When using foldcomp compress on this file: https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/proteomics/pdb/1tim.pdb
it breaks into 4 parts: 1tim.pdbA_0.fcz, 1tim.pdbA_1.fcz, 1tim.pdbB_0.fcz and 1tim.pdbB_1fcz

Is this functionality desired?

How to decompress into one pdb file afterwards with foldcomp decompress?

Thanks for the help :)

[khb7840]

Current version splits PDB files with multiple chains into multiple FCZ files.
I think your point makes sense and current we don't have built-in function for merging output into one file.
You may concatenate decompressed output on your own.
I'll work on to implement that functionality in the near future.
Thank you for your feedback!

[vagkaratzas]

Thanks! I think it would make sense to rename the outputs to something like 1tim.pdb-A_0.fcz or 1tim.pdb_A_0.fcz, etc, in order to be able to split with a character and match back to the original file name, to join chains of the similar structure while decompressing.