Hi,


I'm trying to measure the movement of a domain between two structures of the same protein. Here are the conditions:

1. There are two domains in each structure

2. I want to overlay the first domain and measure the rotation of the second domain

3. There are lots of structures, so I want to minimise the number of steps

4. I'd like to do this with a script and the --no_gui option on headless Chimera


Here is my current script for the routine:

open pdb1

open pdb2

match #1:1-50 #0:1-50

write format pdb relative #1 #0 t.pdb

delete #1

open t.pdb

match #1:55-80 #0:55-80

measure rotation #1 #0

delete #1


open pdb3

...


Is it possible to not have to write, delete, and open #1 after the first match step? If I don't do this, then the measure rotation #1 #0 will measure rotation of the initial match rather than the second match. Thanks for the help. 


Best wishes,
Reza


Reza Khayat, PhD
Associate Professor 
City College of New York
Department of Chemistry and Biochemistry
New York, NY 10031