merge

Merge two or more pre-built PSF/PDB systems into a single PSF/PDB system

Single-valued attributes:

  • systems: List of systems to merge; each entry must have ‘psf’ and either ‘pdb’ or ‘coor’; an optional ‘segname_map’ dict provides explicit segment renames for that system

  • collision_strategy: How to resolve segment name collisions across systems (default: enumerate)