[Chimera-users] adding measurement to Angles/Torsions via command line

Eric Pettersen pett at cgl.ucsf.edu
Thu Jun 28 16:50:51 PDT 2018

After some reflection, we do see some value to the table in that it’s nicer looking, easier to read, and doesn’t scroll away from what you’re interested in.  However, there is no Chimera command for adding an entry to that table.  The Python for doing so isn’t too complicated though.  I’ve attached a Python file that adds two torsion measurements for any single-chain structure (e.g. 1gcn).  I think it’s pretty obvious where the atom specs are and how you add additional measurements.  You run it simply by opening it with File→Open or the “open” command.

	Eric Pettersen
	UCSF Computer Graphics Lab

> On Jun 28, 2018, at 3:48 PM, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> Hi Ryan,
> Since the Angles/Torsions table does little but list the values, we didn’t see added value in putting “angle” results there instead of (or inaddition to) putting them in the Reply Log.  The Reply Log also has a Save button to save its contents to a text file.
> I guess the Angles/Torsions dialog does allow you to select the atoms/bonds for each angle by clicking in the table.  Are you reyling on that feature?  If not, might as well use the Reply Log.
> Best,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
>> On Jun 28, 2018, at 2:12 PM, Ryan Pavlovicz <pavlo2 at gmail.com> wrote:
>> Hi,
>> Is there a way to add a torsion measurement to the Angles/Torsions table via command line so that i can create a .com file to more easily analyze multiple measurements upon opening my session?
>> The best workaround I can think of is to just use the 'angle' command followed by 'start Reply Log'.
>> Thanks,
>> ryan
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