[Chimera-users] ResProp Python code

Elaine Meng meng at cgl.ucsf.edu
Mon Apr 5 09:42:30 PDT 2021

Dear Chittari Jaya Shree,
I can't answer about python, but maybe you didn't know about the related feature that you can simply assign names to whatever you want.   There is no need to use the ResProp tool if this is all going to be in a script anyway. For example, command:

alias neutral :ile,val,leu,phe,cys,met,ala,gly,thr,ser,trp,tyr,pro,gln,asn

... will then let you use "neutral" in other commands, e.g.

select neutral

"alias" command

I hope this helps,
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Apr 5, 2021, at 4:54 AM, Jayashree Chittari <jayashreechittari27 at gmail.com> wrote:
> Respected sir/ma'am
> Greetings for the day!
> I want to make a new category named as neutral in which I would assign some amino acids to this category. So, in GUI we know that it could be done through tools-->structural analysis--> ResProp.
>  My question is how to do the similar process in python, like how to assign certain amino acids to a new category and then perform the selection("select neutral")?
> Here is the attached ss of Residue category definition. I want to use this process in python where the new category contains assigned amino acids.
> Kindly help me in this issue, it would be very grateful if you suggest the code.
> thank you,
> Regards
> Chittari Jaya Shree
> <Capture.PNG>

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