Generating long fibrils
Dear all, Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: [cid:4fb0d318-2ddd-4570-99a9-99846b9ee27c] I normally used Coot and manually add a single layer into density. Thanks, B ________________________________ UT Southwestern Medical Center The future of medicine, today.
Hi Binh, There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this: https://servalcat.readthedocs.io/en/latest/spa_examples/ab42.html#generate-s... Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
UT Southwestern Medical Center The future of medicine, today. _______________________________________________ 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/
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry): https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://servalcat.readthedocs.io/en/latest/spa_examples/ab42.html#generate-s...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
UT Southwestern Medical Center The future of medicine, today. _______________________________________________ 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/
Thank you so much Oli. You are always a life saver. I will try it out. Best, B _____________________________________________ Binh A. Nguyen, Ph.D. Instructor @ Saelices's Lab Center for Alzheimer’s and Neurodegenerative Diseases Peter O’Donnell Jr. Brain Institute UT Southwestern Medical Center ________________________________ From: Oliver Clarke <olibclarke@gmail.com> Sent: Thursday, July 11, 2024 11:10 AM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu> Subject: Re: [chimerax-users] Generating long fibrils EXTERNAL MAIL The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry): https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html<https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html__;!!MznTZTSvDXGV0Co!HaFqsuwLDfRfu8q4dZomS3Nzg9ZqMnUw20jOZXLLUDsxNKSve8Cbj6G9IDvBT-vPAIcChPn5Yruop-yznxLN6S54OXjlGd8$> Cheers Oli On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com> wrote: Hi Binh, There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this: https://servalcat.readthedocs.io/en/latest/spa_examples/ab42.html#generate-symmetry-copies<https://urldefense.com/v3/__https://servalcat.readthedocs.io/en/latest/spa_examples/ab42.html*generate-symmetry-copies__;Iw!!MznTZTSvDXGV0Co!HaFqsuwLDfRfu8q4dZomS3Nzg9ZqMnUw20jOZXLLUDsxNKSve8Cbj6G9IDvBT-vPAIcChPn5Yruop-yznxLN6S54qmqsim8$> Cheers Oli On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote: Dear all, Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png> I normally used Coot and manually add a single layer into density. Thanks, B ________________________________ UT Southwestern Medical Center The future of medicine, today. _______________________________________________ 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/<https://urldefense.com/v3/__https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/__;!!MznTZTSvDXGV0Co!HaFqsuwLDfRfu8q4dZomS3Nzg9ZqMnUw20jOZXLLUDsxNKSve8Cbj6G9IDvBT-vPAIcChPn5Yruop-yznxLN6S54EGBixzI$> CAUTION: This email originated from outside UTSW. Please be cautious of links or attachments, and validate the sender's email address before replying.
Following onto Oli's answer (thanks!), the ChimeraX "sym" command does allow building additional copies with helical symmetry: <https://rbvi.ucsf.edu/chimerax/docs/user/commands/sym.html#symmetry> The tricky part is figuring out what you need to put in the "sym" command for the axis and center, in addition to the helical parameters. 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 11, 2024, at 9:10 AM, Oliver Clarke via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry):
https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html
Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://servalcat.readthedocs.io/en/latest/spa_examples/ab42.html#generate-s...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
Awesome, thank you very much Elaine. ________________________________ From: Elaine Meng <meng@cgl.ucsf.edu> Sent: Thursday, July 11, 2024 12:00 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu> Subject: Re: [chimerax-users] Generating long fibrils EXTERNAL MAIL Following onto Oli's answer (thanks!), the ChimeraX "sym" command does allow building additional copies with helical symmetry: <https://urldefense.com/v3/__https://rbvi.ucsf.edu/chimerax/docs/user/command... > The tricky part is figuring out what you need to put in the "sym" command for the axis and center, in addition to the helical parameters. 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 11, 2024, at 9:10 AM, Oliver Clarke via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry):
https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/comm...
Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://urldefense.com/v3/__https://servalcat.readthedocs.io/en/latest/spa_e...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
CAUTION: This email originated from outside UTSW. Please be cautious of links or attachments, and validate the sender's email address before replying. ________________________________ UT Southwestern Medical Center The future of medicine, today.
Hi Binh, Here's an example using the sym command to make helically arranged copies of a structure open 9eoe sym #1 H,4.75,1.4,20 center 0,0,0 axis z The syntax from the documentation is sym #model-num H,rise,angle,n[,offset] where rise is in angstroms, rotation angle is in degrees, and n is number of copies https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html Tom
On Jul 11, 2024, at 10:02 AM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Awesome, thank you very much Elaine.
From: Elaine Meng <meng@cgl.ucsf.edu <mailto:meng@cgl.ucsf.edu>> Sent: Thursday, July 11, 2024 12:00 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu <mailto:AnBinh.Nguyen@UTSouthwestern.edu>> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> Subject: Re: [chimerax-users] Generating long fibrils
EXTERNAL MAIL
Following onto Oli's answer (thanks!), the ChimeraX "sym" command does allow building additional copies with helical symmetry:
<https://urldefense.com/v3/__https://rbvi.ucsf.edu/chimerax/docs/user/command... >
The tricky part is figuring out what you need to put in the "sym" command for the axis and center, in addition to the helical parameters.
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 11, 2024, at 9:10 AM, Oliver Clarke via ChimeraX-users <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> wrote:
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry):
https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/comm...
Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com <mailto:olibclarke@gmail.com>> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://urldefense.com/v3/__https://servalcat.readthedocs.io/en/latest/spa_e...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
CAUTION: This email originated from outside UTSW. Please be cautious of links or attachments, and validate the sender's email address before replying.
UT Southwestern Medical Center The future of medicine, today. _______________________________________________ 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/
Hi Binh, A few more useful sym commands. To use the center of the model as the center of the filament sym #1 H,4.75,1.4,20 center #1 axis z The sym command does not copy the atoms by default it just makes graphical copies when more than 12 copies are needed. You can get rid of the graphical copies with sym clear #1 And to get real copies use the "copies true" option sym #1 H,4.75,1.4,20 center #1 axis z copies true Tom
On Jul 11, 2024, at 10:20 AM, Tom Goddard <goddard@sonic.net> wrote:
Hi Binh,
Here's an example using the sym command to make helically arranged copies of a structure
open 9eoe sym #1 H,4.75,1.4,20 center 0,0,0 axis z
The syntax from the documentation is
sym #model-num H,rise,angle,n[,offset]
where rise is in angstroms, rotation angle is in degrees, and n is number of copies
https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html
Tom
On Jul 11, 2024, at 10:02 AM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Awesome, thank you very much Elaine.
From: Elaine Meng <meng@cgl.ucsf.edu <mailto:meng@cgl.ucsf.edu>> Sent: Thursday, July 11, 2024 12:00 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu <mailto:AnBinh.Nguyen@UTSouthwestern.edu>> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> Subject: Re: [chimerax-users] Generating long fibrils
EXTERNAL MAIL
Following onto Oli's answer (thanks!), the ChimeraX "sym" command does allow building additional copies with helical symmetry:
<https://urldefense.com/v3/__https://rbvi.ucsf.edu/chimerax/docs/user/command... >
The tricky part is figuring out what you need to put in the "sym" command for the axis and center, in addition to the helical parameters.
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 11, 2024, at 9:10 AM, Oliver Clarke via ChimeraX-users <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> wrote:
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry):
https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/comm...
Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com <mailto:olibclarke@gmail.com>> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://urldefense.com/v3/__https://servalcat.readthedocs.io/en/latest/spa_e...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
CAUTION: This email originated from outside UTSW. Please be cautious of links or attachments, and validate the sender's email address before replying.
UT Southwestern Medical Center The future of medicine, today. _______________________________________________ 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/
Dear Tom, Thank you very much for those useful information. Combining all given information, I confirm this command helped me generate chains that "automatically" fit into my density: sym #1 H,4.75,1.4,20 center #1 axis z (the "axis z" is option in my case too) For Elaine suggestion about the center, one can look up the unit cell of the density (I use Coot, but I am sure ChimeraX should have one too), and whatever the number of unit cell that you have, the input is ½ of those number. e.g. The unit cell (x, y, z) is (248.4, 248.4, 248.4), then the input will be like this: sym #1 H,4.75,1.4,20 center 124.2,124.2, 124.2 Both of those commands work for me. Thank you again for helping. Best, B ________________________________ From: Tom Goddard <goddard@sonic.net> Sent: Thursday, July 11, 2024 12:24 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu> Subject: Re: [chimerax-users] Generating long fibrils Hi Binh, A few more useful sym commands. To use the center of the model as the center of the filament sym #1 H,4.75,1.4,20 center #1 axis z The sym command does not copy the atoms by default it just makes graphical copies when more than 12 copies are needed. You can get rid of the graphical copies with sym clear #1 And to get real copies use the "copies true" option sym #1 H,4.75,1.4,20 center #1 axis z copies true Tom On Jul 11, 2024, at 10:20 AM, Tom Goddard <goddard@sonic.net> wrote: Hi Binh, Here's an example using the sym command to make helically arranged copies of a structure open 9eoe sym #1 H,4.75,1.4,20 center 0,0,0 axis z The syntax from the documentation is sym #model-num H,rise,angle,n[,offset] where rise is in angstroms, rotation angle is in degrees, and n is number of copies https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html<https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html__;!!MznTZTSvDXGV0Co!ACL_jJpYggsjFGrlZyx5cKj55Rk3QpjmA6cxrCOIX2FmS_7shX3da0K-ZuwLIR23YIiCA4fYSCccAJu1GsriXFaIZGI$> Tom On Jul 11, 2024, at 10:02 AM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote: Awesome, thank you very much Elaine. ________________________________ From: Elaine Meng <meng@cgl.ucsf.edu<mailto:meng@cgl.ucsf.edu>> Sent: Thursday, July 11, 2024 12:00 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu<mailto:AnBinh.Nguyen@UTSouthwestern.edu>> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu<mailto:chimerax-users@cgl.ucsf.edu>> Subject: Re: [chimerax-users] Generating long fibrils EXTERNAL MAIL Following onto Oli's answer (thanks!), the ChimeraX "sym" command does allow building additional copies with helical symmetry: <https://urldefense.com/v3/__https://rbvi.ucsf.edu/chimerax/docs/user/command... > The tricky part is figuring out what you need to put in the "sym" command for the axis and center, in addition to the helical parameters. 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 11, 2024, at 9:10 AM, Oliver Clarke via ChimeraX-users <chimerax-users@cgl.ucsf.edu<mailto:chimerax-users@cgl.ucsf.edu>> wrote:
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry):
https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/comm...
Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com<mailto:olibclarke@gmail.com>> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://urldefense.com/v3/__https://servalcat.readthedocs.io/en/latest/spa_e...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu<mailto:chimerax-users@cgl.ucsf.edu>> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
CAUTION: This email originated from outside UTSW. Please be cautious of links or attachments, and validate the sender's email address before replying. ________________________________ UT Southwestern Medical Center The future of medicine, today. _______________________________________________ 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/<https://urldefense.com/v3/__https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/__;!!MznTZTSvDXGV0Co!ACL_jJpYggsjFGrlZyx5cKj55Rk3QpjmA6cxrCOIX2FmS_7shX3da0K-ZuwLIR23YIiCA4fYSCccAJu1GsriV-YDXHA$>
Hi Binh, The "center #1" option will use the geometric center of the atoms which is probably not quite what you want, although close. So better to specify the exact numbers from the unit cell. Tom
On Jul 11, 2024, at 10:58 AM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear Tom,
Thank you very much for those useful information.
Combining all given information, I confirm this command helped me generate chains that "automatically" fit into my density:
sym #1 H,4.75,1.4,20 center #1 axis z (the "axis z" is option in my case too)
For Elaine suggestion about the center, one can look up the unit cell of the density (I use Coot, but I am sure ChimeraX should have one too), and whatever the number of unit cell that you have, the input is ½ of those number. e.g. The unit cell (x, y, z) is (248.4, 248.4, 248.4), then the input will be like this: sym #1 H,4.75,1.4,20 center 124.2,124.2, 124.2
Both of those commands work for me.
Thank you again for helping.
Best,
B
From: Tom Goddard <goddard@sonic.net> Sent: Thursday, July 11, 2024 12:24 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu> Subject: Re: [chimerax-users] Generating long fibrils
Hi Binh,
A few more useful sym commands. To use the center of the model as the center of the filament
sym #1 H,4.75,1.4,20 center #1 axis z
The sym command does not copy the atoms by default it just makes graphical copies when more than 12 copies are needed. You can get rid of the graphical copies with
sym clear #1
And to get real copies use the "copies true" option
sym #1 H,4.75,1.4,20 center #1 axis z copies true
Tom
On Jul 11, 2024, at 10:20 AM, Tom Goddard <goddard@sonic.net> wrote:
Hi Binh,
Here's an example using the sym command to make helically arranged copies of a structure
open 9eoe sym #1 H,4.75,1.4,20 center 0,0,0 axis z
The syntax from the documentation is
sym #model-num H,rise,angle,n[,offset]
where rise is in angstroms, rotation angle is in degrees, and n is number of copies
https://www.cgl.ucsf.edu/chimerax/docs/user/commands/sym.html <https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/comm...>
Tom
On Jul 11, 2024, at 10:02 AM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Awesome, thank you very much Elaine.
From: Elaine Meng <meng@cgl.ucsf.edu <mailto:meng@cgl.ucsf.edu>> Sent: Thursday, July 11, 2024 12:00 PM To: Binh Nguyen <AnBinh.Nguyen@UTSouthwestern.edu <mailto:AnBinh.Nguyen@UTSouthwestern.edu>> Cc: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> Subject: Re: [chimerax-users] Generating long fibrils
EXTERNAL MAIL
Following onto Oli's answer (thanks!), the ChimeraX "sym" command does allow building additional copies with helical symmetry:
<https://urldefense.com/v3/__https://rbvi.ucsf.edu/chimerax/docs/user/command... >
The tricky part is figuring out what you need to put in the "sym" command for the axis and center, in addition to the helical parameters.
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 11, 2024, at 9:10 AM, Oliver Clarke via ChimeraX-users <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> wrote:
The server seems to be down right now, but it is possible you could also do this using the sym command in ChimeraX (I'm just not sure whether there are options for helical or only point group symmetry):
https://urldefense.com/v3/__https://www.cgl.ucsf.edu/chimerax/docs/user/comm...
Cheers Oli
On Jul 11, 2024, at 12:09 PM, Oliver Clarke <olibclarke@gmail.com <mailto:olibclarke@gmail.com>> wrote:
Hi Binh,
There may well be a way to do this with ChimeraX, but you can also easily use servalcat for this:
https://urldefense.com/v3/__https://servalcat.readthedocs.io/en/latest/spa_e...
Cheers Oli
On Jul 11, 2024, at 12:02 PM, Binh Nguyen via ChimeraX-users <chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu>> wrote:
Dear all,
Is there a way in chimeraX that I can use to generate a long fibril, say 20 chains, from a single chain with a twist angle of -1.4 degree and the rise (distance between layers) of 4.75 Angstrom. Some thing like this: <image.png>
I normally used Coot and manually add a single layer into density.
Thanks,
B
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participants (4)
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Binh Nguyen -
Elaine Meng -
Oliver Clarke -
Tom Goddard