Hello, I use "distance hbonds, h_acceptors, h_donors, 3.2, mode=2" to get different results than "cmd.distance("hbonds", 'h_acceptors', 'h_donors', 3.2, mode = 2)". The result from "distance hbonds, h_acceptors, h_donors, 3.2, mode=2" gives the same result as "actions - find-polar contacts-to any atoms in pymol".
Hopefully to be informed why the results of Pymol script are inconsistent with the Python script results.
Also, what command should I use to save residues involved in polar contacts in bulk? I can't achieve the purpose with "save hbond_residues.pdb, hbonds", please let me know, thank you!
Hello, I use "distance hbonds, h_acceptors, h_donors, 3.2, mode=2" to get different results than "cmd.distance("hbonds", 'h_acceptors', 'h_donors', 3.2, mode = 2)". The result from "distance hbonds, h_acceptors, h_donors, 3.2, mode=2" gives the same result as "actions - find-polar contacts-to any atoms in pymol". Hopefully to be informed why the results of Pymol script are inconsistent with the Python script results. Also, what command should I use to save residues involved in polar contacts in bulk? I can't achieve the purpose with "save hbond_residues.pdb, hbonds", please let me know, thank you!