Hi everyone, Is there any way of changing the isomerism of protein residues from L to D? I use ChimeraX with students and it would be great to see what happens with some features of the structure like hydrophobicity after changing isomers. Thanks so much in advance Iñigo Izal Azcárate Personal de Apoyo a la Docencia, Coordinador del programa Science and Business Departamento de Bioquímica y Genética T: 948 425600, ext 6321 inizal@unav.es -- *Este mensaje puede contener información confidencial. Si usted no es el destinatario o lo ha recibido por error, por favor, bórrelo de sus sistemas y comuníquelo a la mayor brevedad al remitente. Los datos personales incluidos en los correos electrónicos que intercambie con el personal de la Universidad de Navarra podrán ser almacenados en la libreta de direcciones de su interlocutor y/o en los servidores de la Universidad durante el tiempo fijado en su política interna de conservación de información. La Universidad de Navarra gestiona dichos datos con fines meramente operativos, para permitir el contacto por email entre sus trabajadores/colaboradores y terceros. Puede consultar la Política de Privacidad de la Universidad de Navarra en la dirección: **https://www.unav.edu/aviso-legal* <https://www.unav.edu/aviso-legal>**** ** ** *This email message may contain confidential information. If you are not the intended recipient of this message or their agent, or if this message has been addressed to you in error, please immediately alert the sender by reply email and then delete this message and any attachments. The personal information included in email messages exchanged with employees of the University of Navarra may be stored in the database of your interlocutor and/or the servers of the University for the time-period stipulated by its internal information storage policy. The University stores such data for purely administrative purposes, to facilitate e-mail contact between its employees and third parties. The University of Navarra Privacy Policy may be accessed at https://www.unav.edu/aviso-legal <https://www.unav.edu/aviso-legal> ***** ** ** _Antes de imprimir este mensaje o sus documentos anexos, asegúrese de que es necesario. Proteger el medio ambiente está en nuestras manos. Before printing this e-mail or attachments, be sure it is necessary. _It is in our hands to protect the environment.__
Hello, This was described by Eric just yesterday: <https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/message/PTDGZ5MOD7A67FWUWNI2LNT6EVW3HOPJ/> To summarize, you can use either of the following (A) Build Structure tool. Select the alpha-carbon of an amino acid residue (hide ribbons and show atoms, Ctrl-click CA atom). Open the tool from the menu: Tools... Structure Editing... Build Structure, and in that tool change from the Start Structure section to the Invert section, then click "Swap" <https://rbvi.ucsf.edu/chimerax/docs/user/tools/buildstructure.html#invert> (B) "build invert" command on the CA atom of an amino acid residue, for example residue 51 in chain A: build invert /A:51@ca <https://rbvi.ucsf.edu/chimerax/docs/user/commands/build.html#invert> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Jul 21, 2023, at 3:29 AM, Íñigo Izal Azcárate via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi everyone,
Is there any way of changing the isomerism of protein residues from L to D? I use ChimeraX with students and it would be great to see what happens with some features of the structure like hydrophobicity after changing isomers.
Thanks so much in advance
Iñigo Izal Azcárate Personal de Apoyo a la Docencia, Coordinador del programa Science and Business Departamento de Bioquímica y Genética
Thanks so much for your help, Elaine I will try! Best Iñigo Enviado desde mi iPhone
El 21 jul 2023, a las 17:33, Elaine Meng <meng@cgl.ucsf.edu> escribió:
Hello, This was described by Eric just yesterday: <https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/message/PTDGZ5MOD7A67FWUWNI2LNT6EVW3HOPJ/>
To summarize, you can use either of the following
(A) Build Structure tool. Select the alpha-carbon of an amino acid residue (hide ribbons and show atoms, Ctrl-click CA atom). Open the tool from the menu: Tools... Structure Editing... Build Structure, and in that tool change from the Start Structure section to the Invert section, then click "Swap" <https://rbvi.ucsf.edu/chimerax/docs/user/tools/buildstructure.html#invert>
(B) "build invert" command on the CA atom of an amino acid residue, for example residue 51 in chain A:
build invert /A:51@ca
<https://rbvi.ucsf.edu/chimerax/docs/user/commands/build.html#invert>
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Jul 21, 2023, at 3:29 AM, Íñigo Izal Azcárate via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi everyone,
Is there any way of changing the isomerism of protein residues from L to D? I use ChimeraX with students and it would be great to see what happens with some features of the structure like hydrophobicity after changing isomers.
Thanks so much in advance
Iñigo Izal Azcárate Personal de Apoyo a la Docencia, Coordinador del programa Science and Business Departamento de Bioquímica y Genética
-- *Este mensaje puede contener información confidencial. Si usted no es el destinatario o lo ha recibido por error, por favor, bórrelo de sus sistemas y comuníquelo a la mayor brevedad al remitente. Los datos personales incluidos en los correos electrónicos que intercambie con el personal de la Universidad de Navarra podrán ser almacenados en la libreta de direcciones de su interlocutor y/o en los servidores de la Universidad durante el tiempo fijado en su política interna de conservación de información. La Universidad de Navarra gestiona dichos datos con fines meramente operativos, para permitir el contacto por email entre sus trabajadores/colaboradores y terceros. Puede consultar la Política de Privacidad de la Universidad de Navarra en la dirección: **https://www.unav.edu/aviso-legal* <https://www.unav.edu/aviso-legal>**** ** ** *This email message may contain confidential information. If you are not the intended recipient of this message or their agent, or if this message has been addressed to you in error, please immediately alert the sender by reply email and then delete this message and any attachments. The personal information included in email messages exchanged with employees of the University of Navarra may be stored in the database of your interlocutor and/or the servers of the University for the time-period stipulated by its internal information storage policy. The University stores such data for purely administrative purposes, to facilitate e-mail contact between its employees and third parties. The University of Navarra Privacy Policy may be accessed at https://www.unav.edu/aviso-legal <https://www.unav.edu/aviso-legal> ***** ** ** _Antes de imprimir este mensaje o sus documentos anexos, asegúrese de que es necesario. Proteger el medio ambiente está en nuestras manos. Before printing this e-mail or attachments, be sure it is necessary. _It is in our hands to protect the environment.__
participants (2)
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Elaine Meng
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Íñigo Izal Azcárate