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Hi Folks, Is there a way to edit the Presets to include additional protein features? Specifically, I work with quite a few disulfide rich proteins and it would be great to select the Preset Interactive 1 and have it automatically draw Cys side chains with disulfide links. Many thanks, glenn Glenn L. Millhauser Department of Chemistry & Biochemistry UC Santa Cruz Santa Cruz, CA 95064 831 459 2176 voice 831 566 3337 cell 831 459 2935 fax http://chemistry.ucsc.edu/~glennm http://www.chemistry.ucsc.edu/faculty/millhauser.html
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Hi Glenn, Although we plan to have user-defined presets in the future, currently there is no reasonably user-friendly way to customize them. As a stopgap, if there are a few commands that generate the display you want (and you could start with a preset command), you could: - put them in a command file; simply opening the command file in Chimera would execute it - alias some word like "mypreset1" to those commands all strung together with semicolons, then later you would only have to type the command "mypreset1" http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/alias.html You can have a command file automatically read at Chimera startup. This is specified in the preferences: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/preferences.html#Midas You would only put the alias commands there, not the display commands themselves, since you want to control when those commands are executed (and usually at startup no structures have been opened yet anyway). There is also a New Molecules section of the preferences in which you can control how structures are displayed when they are first opened: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/preferences.html#New% 20Molecules However, the New Molecules options are rather limited compared to what you can do with commands. There is nothing about disulfide bonds, for example. I would be happy to provide more detailed help with any of this if you would like. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Feb 20, 2008, at 3:31 PM, glenn millhauser wrote:
Hi Folks, Is there a way to edit the Presets to include additional protein features? Specifically, I work with quite a few disulfide rich proteins and it would be great to select the Preset Interactive 1 and have it automatically draw Cys side chains with disulfide links. Many thanks, glenn
Glenn L. Millhauser Department of Chemistry & Biochemistry UC Santa Cruz Santa Cruz, CA 95064 831 459 2176 voice 831 566 3337 cell 831 459 2935 fax
http://chemistry.ucsc.edu/~glennm http://www.chemistry.ucsc.edu/faculty/millhauser.html
_______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
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Thanks, Elaine. This helps get me started. I will play around a bit with a command file. I bet it will come together easily. all the best, glenn On Feb 20, 2008, at 3:55 PM, Elaine Meng wrote:
Hi Glenn, Although we plan to have user-defined presets in the future, currently there is no reasonably user-friendly way to customize them.
As a stopgap, if there are a few commands that generate the display you want (and you could start with a preset command), you could:
- put them in a command file; simply opening the command file in Chimera would execute it
- alias some word like "mypreset1" to those commands all strung together with semicolons, then later you would only have to type the command "mypreset1" http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/alias.html
You can have a command file automatically read at Chimera startup. This is specified in the preferences: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/preferences.html#Midas
You would only put the alias commands there, not the display commands themselves, since you want to control when those commands are executed (and usually at startup no structures have been opened yet anyway).
There is also a New Molecules section of the preferences in which you can control how structures are displayed when they are first opened: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/preferences.html#New%20Molec...
However, the New Molecules options are rather limited compared to what you can do with commands. There is nothing about disulfide bonds, for example.
I would be happy to provide more detailed help with any of this if you would like. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html
On Feb 20, 2008, at 3:31 PM, glenn millhauser wrote:
Hi Folks, Is there a way to edit the Presets to include additional protein features? Specifically, I work with quite a few disulfide rich proteins and it would be great to select the Preset Interactive 1 and have it automatically draw Cys side chains with disulfide links. Many thanks, glenn
Glenn L. Millhauser Department of Chemistry & Biochemistry UC Santa Cruz Santa Cruz, CA 95064 831 459 2176 voice 831 566 3337 cell 831 459 2935 fax
http://chemistry.ucsc.edu/~glennm http://www.chemistry.ucsc.edu/faculty/millhauser.html
_______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
Glenn L. Millhauser Department of Chemistry & Biochemistry UC Santa Cruz Santa Cruz, CA 95064 831 459 2176 voice 831 566 3337 cell 831 459 2935 fax http://chemistry.ucsc.edu/~glennm http://www.chemistry.ucsc.edu/faculty/millhauser.html
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Hi Glenn, Brief experimentation suggests this possibility (show command line with Favorites... Command Line): alias mypreset1 preset apply inter 1; sel disulfide; sel up; disp sel; ~sel Then you can just execute the shorter command: mypreset1 Many variations are possible, like additionally coloring the cysteines. If all cysteines rather than just the disulfide-bonded ones are desired, it is even simpler: alias mypreset1 preset apply inter 1; disp :cys Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Feb 20, 2008, at 3:31 PM, glenn millhauser wrote:
Hi Folks, Is there a way to edit the Presets to include additional protein features? Specifically, I work with quite a few disulfide rich proteins and it would be great to select the Preset Interactive 1 and have it automatically draw Cys side chains with disulfide links. Many thanks, glenn
participants (2)
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Elaine Meng
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glenn millhauser