Module/Workflow/Library affected
caprieval
Expected behavior
CAPRI stats in case of DNA should be calculated in a consistent manner using heavy atoms (beads) of the bases (and not the backbone as it can be more flexible/variable).
Actual behavior
Currently CAPRI statistics are calculated using base atoms in case of DNA in all atoms mode, but backbone beads in CG mode, which is inconsistent.
Steps to reproduce the behavior
See the DNA_ATOM and DNA_ATOM_CG definitions in libalign.py
Suggestions on how to fix it
Replace the backbone beads by based beads for DNA_ATOM_CG
Version
1f54a9e
Module/Workflow/Library affected
caprieval
Expected behavior
CAPRI stats in case of DNA should be calculated in a consistent manner using heavy atoms (beads) of the bases (and not the backbone as it can be more flexible/variable).
Actual behavior
Currently CAPRI statistics are calculated using base atoms in case of DNA in all atoms mode, but backbone beads in CG mode, which is inconsistent.
Steps to reproduce the behavior
See the DNA_ATOM and DNA_ATOM_CG definitions in
libalign.pySuggestions on how to fix it
Replace the backbone beads by based beads for DNA_ATOM_CG
Version
1f54a9e