Re: [Chimera-users] how to save distance to a file
On May 5, 2014, at 4:07 PM, chang YG <changyg2008@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@cgl.ucsf.edu> wrote: On May 5, 2014, at 3:57 PM, Eric Pettersen <pett@cgl.ucsf.edu> wrote:
print>>f, a1, a2, diet
Stupid auto-correct spelling. "diet" should be "dist".
--Eric
I should say that this assumes you've already superimposed the atoms with e.g. the "match" command. --Eric On May 5, 2014, at 4:10 PM, Eric Pettersen <pett@cgl.ucsf.EDU> wrote:
On May 5, 2014, at 4:07 PM, chang YG <changyg2008@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@cgl.ucsf.edu> wrote: On May 5, 2014, at 3:57 PM, Eric Pettersen <pett@cgl.ucsf.edu> wrote:
print>>f, a1, a2, diet
Stupid auto-correct spelling. "diet" should be "dist".
--Eric
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Eric Pettersen