Example use-case:
Mpro = monomer in pdb file but is a dimer in functionality.
mpro.pdb file should get gemmi/PISA'd into a dimeric structure by the pipeline prior to fragalysis-API
PlPro = monomer in pdb file, monomeric in functionality.
plpro.pdb file should not get gemmi/PISA'd into a dimeric structure by the pipeline prior to fragalysis-API
Solutions:
Table in XCDB to control how the pipeline behaves? If Monomeric do not run PISA/Gemmi step else use pisa/gemmi
Example use-case:
Mpro = monomer in pdb file but is a dimer in functionality.
mpro.pdb file should get gemmi/PISA'd into a dimeric structure by the pipeline prior to fragalysis-API
PlPro = monomer in pdb file, monomeric in functionality.
plpro.pdb file should not get gemmi/PISA'd into a dimeric structure by the pipeline prior to fragalysis-API
Solutions:
Table in XCDB to control how the pipeline behaves? If Monomeric do not run PISA/Gemmi step else use pisa/gemmi