--pdb_assign

Assigns some of the attributes of atoms in the PDB output file.

elbow.builder --smiles O --pdb_assign "chain B"

sets the chain to B.

Some of the attributes.

Residue name : resname

Chain ID : chain, chainid

Residue sequence ID : resseq, resid

Alternative location ID : altid, altloc

Insert code : icode

Occupancy : occ, occupancy

Temperature factor : tempfactor,