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Difference between revisions of "Retain order"
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Revision as of 03:49, 28 March 2014
Overview
If set, order is preserved when exporting an imported pdb. (Must be set before import)
Syntax
set retain_order,[0,1]
set retain_order #default 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