Dear all,
Hi Chinh,If you are able to write a Python script, you could use the info in the Chimera Programmer's Guideto write a script to get the values. There is a programmer's example specifically about atomic-level measurements such as angles and distances:Also, Python is reasonably easy to learn, especially if you already know how to program in another language. There are links to Python tutorials in the Programmer's Guide.--EricEric PettersenUCSF Computer Graphics LabOn Mar 8, 2013, at 9:08 AM, Elaine Meng wrote:_______________________________________________Hi Chinh,
For scripting measurements (distance, angle, torsion) you can use commands: distance, angle
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/distance.html>
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/angle.html>
These measurements are specified individually. Chimera does not have an option to write out a Z-matrix, sorry.
More info on writing Chimera scripts to process multiple data files:
<http://www.cgl.ucsf.edu/chimera/docs/ProgrammersGuide/basicPrimer.html>
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Mar 8, 2013, at 12:01 AM, Chinh Su Tran To wrote:Hi,I have some results after running docking from DOCK.I'd like to obtain information of internal coordinates (bond, angle, torsion OR z-matrix).Could anyone please give me any suggestion how to do that in Chimera? Or if possible, please suggest me some references that can help me find it out.
I have bunch of conformations, so I may not use the gui.Thank you.Chinh
Chimera-users mailing list
Chimera-users@cgl.ucsf.edu
http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users