[gmx-users] Coordinates transformation
jalemkul at vt.edu
Wed Aug 15 13:30:42 CEST 2018
On 8/15/18 5:47 AM, Yasser Almeida Hernández wrote:
> 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?
Use trjconv -fit rotxy+transxy
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
More information about the gromacs.org_gmx-users