Пример #1
0
 def get_het_id(hetname, chain: Chain):
     residues = chain.get_residues()
     for residue in residues:
         residue_id = residue.get_id()
         hetfield = residue_id[0]
         if hetfield != " " and hetfield != "W":
             if residue_id[0] == hetname:
                 return residue_id
     else:
         return None
Пример #2
0
 def get_het_ids(chain: Chain):
     residues = chain.get_residues()
     residue_list = []
     for residue in residues:
         residue_id = residue.get_id()
         het_field = residue_id[0]
         het_name = residue.get_resname()
         if het_field != " " and het_field != "W":
             residue_list.append(het_name)
     return residue_list