Of course you can save a PDB file and name it whatever you want. Menu: File... Save (choose file type PDB, set file name/location) or "save" command. <https://rbvi.ucsf.edu/chimerax/docs/user/commands/save.html#pdb> It would not automatically figure out the name for you, if that's what you mean. That would require you to write your own python script which might be complicated, and I cannot advise on how to do that. Elaine
On Oct 9, 2024, at 9:57 AM, Prathvi Singh via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
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 _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/