Defining a variable that represents the number of models
Hello,
Would it be possible to define a variable that represents the number of models? I want to make a chimerax script that aligns #1-#(N-1) to #N.
For instance, if I have a script like this where N represents the number of models opened in ChimeraX and save it as test.cxc mm #1-#(N-1) to #N
In bash, I can open my PDB files that are aligned to a crystal structure 1be9: chimerax *.pdb 1be9 test.cxc
The number of models (N) will be a dynamic variable depending on how many PDB files I have. Thank you.
Best, Siyoung
------------------ While writing, I figured the below would work.
test.cxc: mm ~#1 to #1
In bash: chimerax 1be9 *.pdb test.cxc
But I still want to ask this question to know whether it is possible to retrieve the number of models opened and set this to a variable in ChimeraX. Thanks.
The ChimeraX command language does not have variables, it is not like a unix shell. You would use Python to do ChimeraX scripting that needs variables or loops or if statements. Examples of ChimeraX Python scripts are here
https://rbvi.github.io/chimerax-recipes/
Tom
On Jan 19, 2024, at 2:48 PM, kkssy141--- via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote:
Hello,
Would it be possible to define a variable that represents the number of models? I want to make a chimerax script that aligns #1-#(N-1) to #N.
For instance, if I have a script like this where N represents the number of models opened in ChimeraX and save it as test.cxc mm #1-#(N-1) to #N
In bash, I can open my PDB files that are aligned to a crystal structure 1be9: chimerax *.pdb 1be9 test.cxc
The number of models (N) will be a dynamic variable depending on how many PDB files I have. Thank you.
Best, Siyoung
While writing, I figured the below would work.
test.cxc: mm ~#1 to #1
In bash: chimerax 1be9 *.pdb test.cxc
But I still want to ask this question to know whether it is possible to retrieve the number of models opened and set this to a variable in ChimeraX. Thanks. _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
Thank you, Tom.
Best, Siyoung
On Jan 19, 2024, at 6:13 PM, Tom Goddard goddard@sonic.net wrote:
The ChimeraX command language does not have variables, it is not like a unix shell. You would use Python to do ChimeraX scripting that needs variables or loops or if statements. Examples of ChimeraX Python scripts are here
https://rbvi.github.io/chimerax-recipes/
Tom
On Jan 19, 2024, at 2:48 PM, kkssy141--- via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote:
Hello,
Would it be possible to define a variable that represents the number of models? I want to make a chimerax script that aligns #1-#(N-1) to #N.
For instance, if I have a script like this where N represents the number of models opened in ChimeraX and save it as test.cxc mm #1-#(N-1) to #N
In bash, I can open my PDB files that are aligned to a crystal structure 1be9: chimerax *.pdb 1be9 test.cxc
The number of models (N) will be a dynamic variable depending on how many PDB files I have. Thank you.
Best, Siyoung
While writing, I figured the below would work.
test.cxc: mm ~#1 to #1
In bash: chimerax 1be9 *.pdb test.cxc
But I still want to ask this question to know whether it is possible to retrieve the number of models opened and set this to a variable in ChimeraX. Thanks. _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
participants (3)
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kkssy141＠gmail.com -
Siyoung Kim
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Tom Goddard