Thank you so much for your prompt response Elaine. I was able to rotate using the torsion command. I just have one more follow-up question. Once I have made the rotation, I want to save the pdb file with its name containing the new dihedral angle value e.g., *1GWO_73.pdb*. Is it possible? Thanks once again. On Wed, Oct 9, 2024 at 9:21 PM Elaine Meng <meng@cgl.ucsf.edu> wrote:
Hi Prathvi, Yes in both, but I'll answer for ChimeraX: see the "torsion" command <https://rbvi.ucsf.edu/chimerax/docs/user/commands/torsion.html>
Regards, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco
On Oct 9, 2024, at 8:37 AM, Prathvi Singh via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:
Hi Elaine,
Is it possible to change the dihedral angle between any given four sets of atoms, say CA,CB,CG, HG2 of a Lysine residue using command line in either chimera/chmeraX?
Thanks in advance, Prathvi Singh, Research Fellow, Department of Biological Sciences & Bioengineering, Indian Institute of Technology, Kanpur-208016
-- Prathvi Singh, Research Fellow, Department of Biological Sciences & Bioengineering, Indian Institute of Technology, Kanpur-208016