[gmx-users] Coordinates transformation

Yasser Almeida Hernández yasser.almeida.hernandez at chemie.uni-hamburg.de
Wed Aug 15 11:47:55 CEST 2018

Hi all,

I have two different simulations of a membrane protein in a E. coli 
model membrane, and I want to analyze the protein-lipids interactions, 
by generating 2D density maps. In each simulation, the protein 
moves/rotates different along the xy plane of the membrane, and ends up 
in a different orientation.

Is there a way to transform the coordinates of one simulation, ex. 
superposing one onto the other (taking the protein coordinates of the 
first simulation as reference) to have both in the same coordinates 
system and the proteins in the same orientation, so I can generate 
comparable 2D maps?

Thanks in advance.



Yasser Almeida Hernández
PhD student
Institute of Biochemistry and Molecular Biology
Department of Chemistry
University of Hamburg
Martin-Luther-King-Platz 6
20146 Hamburg
+49 40 42838 2845
yasser.almeida.hernandez at chemie.uni-hamburg.de
office: Grindelallee 117, room 250c

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