Hi Xiang,

there is no ready-to-use tool for this right now, but I can spend a few moments and add one so it's available in next Phenix nightly build in a day or two.

phenix.angle model.pdb selection="chain A and resseq 1:123" selection="chain B and resseq 20:345"

The underlying procedure would do the following:
- extract two sets of coordinates of atoms corresponding to two provided atom selections;
- draw two optimal lines (LS fit) passing through the above sets of coordinates;
- compute and report angle between those two lines?

Would this be helpful? Is it worth adding such tool?

Pavel

On 1/20/14, 5:48 AM, 李翔 wrote:

Hi,

I have a DNA model which is composed of two DNA duplexes. I want to measure the angle between the two duplexes and if there a way to do it in PHENIX or in other software?

Thanks you very much for your help!

Sincerely,

Xiang

--
Li Xiang
Department of chemistry,
Purdue University
Email：[email protected]
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