Retain order

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The retain_order setting keeps atoms in the original order, instead of sorting them by atom identifiers. The "original order" is defined by the rank property, so technically with retain_order=on, PyMOL performs a rank-assisted sort.

Setting retain_order on or off triggers resorting of atoms.

File Format Specifics

  • vdb: Since PyMOL 1.8.6, retain_order is automatically set for VIPERdb files, because they don't have unique chain identifiers
  • cif: When retain_order=on, then PyMOL will skip loading of missing residues, because it depends on sorting

Syntax

set retain_order,[0,1]

Example

Original PDB:

ATOM      1  CH3 ACE A   1      33.160  24.100  12.400  1.00  0.00
ATOM      2 HH31 ACE A   1      32.860  24.830  11.650  1.00  0.00
ATOM      3 HH32 ACE A   1      33.800  23.390  11.880  1.00  0.00
ATOM      4 HH33 ACE A   1      32.250  23.650  12.770  1.00  0.00
ATOM      5  C   ACE A   1      33.910  24.800  13.510  1.00  0.00
ATOM      6  O   ACE A   1      33.760  24.560  14.700  1.00  0.00

Loaded and exported with retain_order set to 0

ATOM      1  C   ACE A   1      33.910  24.800  13.510  1.00  0.00           C
ATOM      2  O   ACE A   1      33.760  24.560  14.700  1.00  0.00           O
ATOM      3  CH3 ACE A   1      33.160  24.100  12.400  1.00  0.00           C
ATOM      4 HH31 ACE A   1      32.860  24.830  11.650  1.00  0.00           H
ATOM      5 HH32 ACE A   1      33.800  23.390  11.880  1.00  0.00           H
ATOM      6 HH33 ACE A   1      32.250  23.650  12.770  1.00  0.00           H

Loaded and exported with retain_order set to 1

ATOM      1  CH3 ACE A   1      33.160  24.100  12.400  1.00  0.00           C
ATOM      2 HH31 ACE A   1      32.860  24.830  11.650  1.00  0.00           H
ATOM      3 HH32 ACE A   1      33.800  23.390  11.880  1.00  0.00           H
ATOM      4 HH33 ACE A   1      32.250  23.650  12.770  1.00  0.00           H
ATOM      5  C   ACE A   1      33.910  24.800  13.510  1.00  0.00           C
ATOM      6  O   ACE A   1      33.760  24.560  14.700  1.00  0.00           O

See Also