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ChimeraX_Commands_EN.md

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Lamarck       2025-08-26

Command reference for the ChimeraX command line


Basic commands

01 Show the ChimeraX working directory

pwd

02 Open a pdb file in the working directory

open asu.pdb

03 Close a structure

close #1     # close one structure
close all    # close every structure

04 Export the current selection

save lamarck.pdb selectedOnly true

05 Export the structure as a png with a transparent background

save lamarck.png transparentBackground true

06 Select residues on a chain

select #1/A:100-200        # select a contiguous range
select #1/A:100,150,200    # select discrete residues
select ~sel                # invert the selection

07 Split a model by chain

split #1

08 Delete residues to break a chain

delete #1/C:72            # delete one residue
delete #1/C:72-78         # delete a contiguous range
delete #1/C:72,75,78      # delete discrete residues

09 Adjust the transparency of the selection

transparency sel 60 target ac    # a = atom, c = cartoon; both are changed

Advanced commands

01 Find neighboring residues

select zone #1/C:260-268 5    # select residues within 5 Å of the target segment

02 Superimpose model1 onto model2 (to inspect mutations or differences; the log reports the RMSD automatically)

mm is the short form of matchmaker

mm #3 to #1

To pair chains manually: the default pairing bb picks only the single highest-scoring pair of chains, so a multi-chain complex needs pairing ss to state the pairs explicitly

mm #2/B,C to #1/A,B pairing ss    # #2/B onto #1/A and #2/C onto #1/B, both pairs fitted together
mm #2/B,C to #1/A,B pair ss bring #3    # move #3 along with #2

The two sides must name the same number of chains, matched in the order written. The whole of #2 then moves as a rigid body; the named chains only determine which residues take part in the fit.

03 Cycle automatically through dozens of open structures

perframe drives the cycling; $1 is substituted with each number from range in turn

perframe "hide models; show #$1 models" range 1,24 interval 120   # 24 models, switching every 120 frames
perframe stop                                                     # stop cycling