This version introduces two new scripts: aligner and unifier.
The aligner script uses PyMOL’s built-in align command with CLUSTAL format export. It takes two paths to PDB or mmCIF files, aligns them, and writes only the aligned residues to the specified output directory.
The unifier script processes a list of PDB or mmCIF files, aiming to unify their content. If the residue count or sequence differs between structures, the program halts, requiring prior use of the aligner. Otherwise, the unifier removes residues with differing atom counts across structures, reorders atoms consistently, and unifies residue naming. The output files will have identical atom counts, orders, and residue identifiers.
What's Changed
* feat: implement structure unifier by tzok in https://github.com/tzok/rnapolis-py/pull/322
**Full Changelog**: https://github.com/tzok/rnapolis-py/compare/0.5.0...0.6.0