I have a text data file containing multi-columns, rows and sections. Herein, I want to delete rows which their 5th or 6th or 7th columns larger than 50.
Challenges are:
- In 'Atoms' section, the first column is called 'Atom_id'. This 'Atom_id' is used in the 3rd or 4th columns of 'Bond' section. So deleted 'atom_id' should also be deleted at 'Bond' section, if it is available at its 3rd or 4th column.
- Updating 'Atom_id' and 'Bond_id' to be continuous. But, the problem is about 3rd or 4th columns of 'Bond' section, which should be updated correspondingly.
Any comments or suggestions will be highly appreciated,Thanks in advance.
Here is the my minimized data file.
#Atoms#Atom_id molecules_id atom_type charge x_coor y_coor z_coor 1 1 2 -0.834 60.243 56.013 55.451 2 1 1 0.417 1.061 6.406 5.263 3 1 1 0.417 3.513 2.071 5.526 4 2 2 -0.834 4.14 6.861 5.328 5 2 1 0.417 4.322 6.96 5.317 6 2 1 0.417 3.303 1.922 4.912 7 3 2 -0.834 12.756 53.344 3.856 8 3 1 0.417 12.527 53.366 4.833 9 3 1 0.417 12.039 53.747 3.454 10 4 2 -0.834 1.402 7.122 13.392 #Bonds #Bond_id bond_type atom_id atom_id 1 2 1 2 2 2 1 3 3 2 4 5 4 2 4 6 5 2 7 8 6 2 7 9 7 2 10 11 8 2 10 12 9 2 13 14 10 2 13 15 11 2 16 17 It seems it would be better to clean the data and separate these sections into two different files. Is it easier to write the script for separated sections?