pippo1990

Any reason why Atom __init__ doesnt enforce coordiates as numpy array

5

It took me one day to realize that : atom = PDB.Atom.Atom('O', [x,y,z] , 0, 100 , " ", str(grid_cnt)[:1], grid_cnt, element = "H") resi1.add(atom) works but then atom1 -atom2...

PDB.PDBIO.sav add end_ter = True

13

as noticing from https://stackoverflow.com/questions/78141949/modifying-values-in-pdb-file-and-save-as-new/78149130#78149130 could we have end_ter = TRUE in def save(self, file, select=_select, write_end=True, preserve_atom_numbering=False): (https://github.com/biopython/biopython/blob/d1f1aa83a417386c075471f8c22624ebb9aa3cd0/Bio/PDB/PDBIO.py#L298 ) so that settibg end_ter = False it will skip : if...