schrodinger / pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.
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Fantom atom when selecting a missing residue #359

Closed chmnk closed 6 months ago

chmnk commented 7 months ago

In pymol-open-source 2.5 and 3.0, when I load the 1c1v PDB file and try to select a missing residue,

fetch 1c1v
select ch_r150, chain H and resi 150

I get a 1-atom selection, and that atom does not have coordinates. Is it done like that by design?

JarrettSJohnson commented 6 months ago

Depends on the file that PyMOL parses the structure data from. From the 1c1v .cif file, there is a residue provided by the structure file at residue position 150, and I assume we just insert a "non-physical" atom there that lacks coordinates. For the 1c1v .pdb file, the missing residues are skipped.

speleo3 commented 6 months ago

You could remove those atoms which don't have coordinates by:

remove not present

Before: image After: image

chmnk commented 6 months ago

@JarrettSJohnson @speleo3 thank you!