Problems adjusting the phi/psi angles with ChimeraX
Dear ChimeraX team, I was trying to use ChimeraX to change the phi/psi angles of a residue in the loop region but encoured this error: ILE 411 N ↔ CA is part of a ring/cycle and cannot be rotated. There is no ring/cycle in ILE411 or neibouring residues: ASN 410 or THR 412. I tried ChimeraX daily (version 1.10.dev202504260127 (2025-04-26) and ChimeraX 1.10.1 but the same error happened. I am wondering if it is possible to change the phi/psi angles with ChimeraX. Thank you. Best, Zhen
Hi Zhen, This probably means that the bond is part of a large cycle of bonds created by cross-chain linkages such as disulphide bonds. You would have to break one or more of those linkages in order to rotate the bond. --Eric Eric Pettersen UCSF Computer Graphics Lab
On Oct 15, 2025, at 10:54 AM, Gong, Zhen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear ChimeraX team,
I was trying to use ChimeraX to change the phi/psi angles of a residue in the loop region but encoured this error: ILE 411 N ↔ CA is part of a ring/cycle and cannot be rotated. There is no ring/cycle in ILE411 or neibouring residues: ASN 410 or THR 412.
I tried ChimeraX daily (version 1.10.dev202504260127 (2025-04-26) and ChimeraX 1.10.1 but the same error happened. I am wondering if it is possible to change the phi/psi angles with ChimeraX. Thank you.
Best, Zhen _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu <mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
Eric, Thank you very much for your helpful suggestion. After removing all the disulfide bonds in that chain, I was able to modify the φ/ψ angles successfully. Your advice saved me a lot of time and allowed me to accomplish my goal. I truly appreciate your help. Best, Zhen From: Eric Pettersen <pett@cgl.ucsf.edu> Date: Wednesday, October 15, 2025 at 15:03 To: Gong, Zhen <zg2234@cumc.columbia.edu> Cc: chimerax-users@cgl.ucsf.edu <chimerax-users@cgl.ucsf.edu> Subject: [EXTERNAL] Re: [chimerax-users] Problems adjusting the phi/psi angles with ChimeraX Hi Zhen, This probably means that the bond is part of a large cycle of bonds created by cross-chain linkages such as disulphide bonds. You would have to break one or more of those linkages in order to rotate the bond. --Eric Eric Pettersen UCSF Computer Graphics Lab On Oct 15, 2025, at 10:54 AM, Gong, Zhen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote: Dear ChimeraX team, I was trying to use ChimeraX to change the phi/psi angles of a residue in the loop region but encoured this error: ILE 411 N ↔ CA is part of a ring/cycle and cannot be rotated. There is no ring/cycle in ILE411 or neibouring residues: ASN 410 or THR 412. I tried ChimeraX daily (version 1.10.dev202504260127 (2025-04-26) and ChimeraX 1.10.1 but the same error happened. I am wondering if it is possible to change the phi/psi angles with ChimeraX. Thank you. Best, Zhen _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu<mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu<mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
Zhen, Glad I was able to help and that you were able to do what you needed. --Eric
On Oct 15, 2025, at 12:30 PM, Gong, Zhen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Eric,
Thank you very much for your helpful suggestion. After removing all the disulfide bonds in that chain, I was able to modify the φ/ψ angles successfully. Your advice saved me a lot of time and allowed me to accomplish my goal. I truly appreciate your help.
Best, Zhen
From: Eric Pettersen <pett@cgl.ucsf.edu> Date: Wednesday, October 15, 2025 at 15:03 To: Gong, Zhen <zg2234@cumc.columbia.edu> Cc: chimerax-users@cgl.ucsf.edu <chimerax-users@cgl.ucsf.edu> Subject: [EXTERNAL] Re: [chimerax-users] Problems adjusting the phi/psi angles with ChimeraX
Hi Zhen, This probably means that the bond is part of a large cycle of bonds created by cross-chain linkages such as disulphide bonds. You would have to break one or more of those linkages in order to rotate the bond.
--Eric
Eric Pettersen UCSF Computer Graphics Lab
On Oct 15, 2025, at 10:54 AM, Gong, Zhen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear ChimeraX team,
I was trying to use ChimeraX to change the phi/psi angles of a residue in the loop region but encoured this error: ILE 411 N ↔ CA is part of a ring/cycle and cannot be rotated. There is no ring/cycle in ILE411 or neibouring residues: ASN 410 or THR 412.
I tried ChimeraX daily (version 1.10.dev202504260127 (2025-04-26) and ChimeraX 1.10.1 but the same error happened. I am wondering if it is possible to change the phi/psi angles with ChimeraX. Thank you.
Best, Zhen _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu <mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
_______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu <mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
participants (2)
-
Eric Pettersen -
Gong, Zhen