Display axes for global frame of reference?

Hello All, I'm considering using Chimera as my general purpose modeling graphics front-end and have run into a snag. I have a protein that I need to globally translate and rotate to move several residues to be oriented along the x, y, and z axes. In InsightII, there is an option to display the global coordinate system in the main graphics window, so that it's easy to manipulate a structure to a given orientation. Is there a way to display the global axes like that in Chimera, and is it possible to write out the transformed coordinates of a PDB file without a lot of difficulty? Thanks, Andy

Hi Andy, It is easy to write out the transformed coordinates of a PDB file. If you have just one model open, the "Save PDB" dialog (for example, opened with File... Save PDB) has a checkbox option "Use untransformed coordinates" that you can just uncheck before saving the file. If more than one model is open, saving the transformed coordinates is the default (but there is an option you can turn on to save the coordinates relative to the untransformed coordinates of another model or of itself = its untransformed coordinates). There is no built-in feature to display the coordinate axes, but here (file attached below) is a BILD-format object you can open in Chimera to show the axes (X red, Y yellow, Z blue). Should be named with the suffix .bild to be recognized automatically. The BILD text file is very small and simple. You can edit the colors, scale, offset etc. as desired. The format is described here: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/bild.html You might be able to do what you want even without a visual representation of the axes, using the "align" command and then rotating 90 degrees around various axes with "turn" http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/align.html http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/turn.html I hope this helps, 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 Sep 7, 2007, at 9:46 AM, Andrew D. Fant wrote:
Hello All, I'm considering using Chimera as my general purpose modeling graphics front-end and have run into a snag. I have a protein that I need to globally translate and rotate to move several residues to be oriented along the x, y, and z axes. In InsightII, there is an option to display the global coordinate system in the main graphics window, so that it's easy to manipulate a structure to a given orientation.
Is there a way to display the global axes like that in Chimera, and is it possible to write out the transformed coordinates of a PDB file without a lot of difficulty?
Thanks, Andy

Hi Andy, It just occurred to me that the "align" command changed recently. The link in my previous message goes to the man page for the latest and greatest, which allows you to specify two sets of atoms. The centroids of the sets are aligned. The older version of "align" (such as in the most recent production release, 1.2422) only allows two atoms rather than two sets of atoms to be used: http://www.cgl.ucsf.edu/chimera/1.2422/docs/UsersGuide/midas/align.html Currently the newer version of "align" is available in the August Linux snapshots http://www.cgl.ucsf.edu/chimera/download.html#snapshots and *untested* builds for other platforms http://www.cgl.ucsf.edu/chimera/alpha-downloads.html 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 Sep 7, 2007, at 10:49 AM, Elaine Meng wrote:
You might be able to do what you want even without a visual representation of the axes, using the "align" command and then rotating 90 degrees around various axes with "turn" http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/align.html http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/turn.html
participants (2)
-
Andrew D. Fant
-
Elaine Meng