ligand-pdb-output.log

./ligand-pdb.py: line 4: FK5: command not found
./ligand-pdb.py: line 6: isatom: command not found
./ligand-pdb.py: line 7: syntax error near unexpected token `('
./ligand-pdb.py: line 7: `with open(dataname) as f:'

ligand-pdb.py

# Remove rows from .pdb
import numpy as np
dataname='1yat.pdb'
keyword= 'FK5'

isatom = False
with open(dataname) as f:
    for line in f:
        new_str=' '.join(line.split())
        vals= new_str.split(' ')
        if isatom == False:
            print(line, end='')
            if vals[0] == 'ATOM':
                isatom = True
        if vals[0] == 'ATOM' or vals[0] == 'HETATM' :
            if vals[3] != keyword:
                print(line,end='')
    pass
f.close()