[Chimera-users] how to save distance to a file

Eric Pettersen pett at cgl.ucsf.edu
Mon May 5 16:10:39 PDT 2014


On May 5, 2014, at 4:07 PM, chang YG <changyg2008 at gmail.com> wrote:

> Hi Eric,
> 
> Thank you very much for the quick response. I can't wait to try the script you provided.
> 
> For the RMSD, I have two conformers for the same sequence. If I encounter any problem, I will give it my best shot before posting questions.

In that case it should be easy:

from chimera import openModels, Molecule
m1, m2 = openModels.list(modelTypes=[Molecule])
import Midas
rmsd = Midas.rmsd(m1.atoms, m2.atoms)
etc.

--Eric

> 
> Yonggang
> 
> 
> On Mon, May 5, 2014 at 3:59 PM, Eric Pettersen <pett at cgl.ucsf.edu> wrote:
> On May 5, 2014, at 3:57 PM, Eric Pettersen <pett at cgl.ucsf.edu> wrote:
> 
>> print>>f, a1, a2, diet
> 
> Stupid auto-correct spelling.  "diet" should be "dist".
> 
> --Eric
> 
> 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20140505/ba2089f1/attachment.html>


More information about the Chimera-users mailing list