Re: [PyMOL] distance-based selection of the side-chains

2022-01-27 Thread Ali Saad Kusay via PyMOL-users
Hi Enrico, I think it's because you are selecting side chains, glycine has no sidechain and alanine has single carbon atom side chain so this representation won't work for it. You would need to remove the sidechains from the selection to make it apply to the backbone atoms, i.e.

Re: [PyMOL] distance-based selection of the side-chains

2022-01-27 Thread Ali Saad Kusay via PyMOL-users
Hi Enrico, You need to use the byres or br. Selection (https://pymolwiki.org/index.php/Selection_Algebra) I.e: cmd.select('br. (rep sticks & visible beyond 4 of not polymer)') Also, consider hiding all protein residues and showing only the ones near the protein, i.e.: cmd.show('sticks','br.

Re: [PyMOL] Set label for visible amino acids

2022-01-12 Thread Ali Saad Kusay via PyMOL-users
Hi Enrico, This is actually quite simple, see the PyMOL wiki: https://pymolwiki.org/index.php/Aa_codes Paste this python dictionary into PyMOL: one_letter ={'VAL':'V', 'ILE':'I', 'LEU':'L', 'GLU':'E', 'GLN':'Q', \ 'ASP':'D', 'ASN':'N', 'HIS':'H', 'TRP':'W', 'PHE':'F', 'TYR':'Y',\

Re: [PyMOL] surface representation of the protein-ligand interactions

2022-01-10 Thread Ali Saad Kusay via PyMOL-users
Hi Enrico, This is beyond my understanding, try and run this bash script without making the surface transparent (to figure out if the issue comes from the transparency) Also try the rebuild command before saving the image: https://pymolwiki.org/index.php/Rebuild Cheers, Ali Ali Kusay |

Re: [PyMOL] surface representation of the protein-ligand interactions

2022-01-10 Thread Ali Saad Kusay via PyMOL-users
Hi Enrico, You can carve the protein surface around the ligand, i.e. show only the surface behind the ligand, see this guide: https://pymol.org/dokuwiki/doku.php?id=figure:carving_surfaces You can also try and made the surface more transparent, but this doesn't always give the best results,

Re: [PyMOL] Structure alignment -- general question

2022-01-04 Thread Ali Saad Kusay via PyMOL-users
Hi George, You can do pairwise alignments, i.e. align 3 of the structures to one structure. You can also use the "extra_fit" method (https://pymolwiki.org/index.php/Extra_fit), i.e: extra_fit name CA, "object", super Replace object with the structure you want the other 3 to align to, this

Re: [PyMOL] Complement or Inverse Selection in Pymol

2021-11-28 Thread Ali Saad Kusay via PyMOL-users
Hi Gret, No worries, In regards to the selection: “resi 25 and object” Its more so to ensure that you don’t accidently select “resi 25” from multiple chains or objects Like if you load two pdb files into PyMOL (say obj01 and obj02) and both have a resi 25, then resi 25 from both objects will

Re: [PyMOL] Complement or Inverse Selection in Pymol

2021-11-26 Thread Ali Saad Kusay via PyMOL-users
Hi Gert, These selection commands will generate a selection object called "other_waters " See https://pymolwiki.org/index.php/Selection_Algebra You can do: select other_waters, br. (resn WAT and not sele) # after you make the selection in your email or select other_waters, br. (resn WAT