[Chimera-users] Setting a unique torsion to a specified value

Jerry Tanoury jerrytanoury at gmail.com
Wed Jul 29 06:32:49 PDT 2020


Dear forum,
I am new to chimera.  I have been building and modifying several structures
using command-line, and have been successful except for setting a specific
torsion to a specified angle.  The torsion is not phi, psi, etc.  I thought
I could define the torsion as a specific attribute using an attribute
assignment file and defattr.  In my model, the torsion is ":1.A at O3 :1.A at S1
:1.B at O2 :1.B at S2", and I would like to set it to a value of 15.  So, my
assignment file would be (?):

attribute: MyTors
match mode: any
recipient: atoms
            :1.A at O3 :1.A at S1 :1.B at O2 :1.B at S2 15

Then from command-line I would use: defattr MyTors

Is this correct?
Thank you for the help,
Jerry
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