Hi Cun,
That's a good start. Just a couple things needs to be changed.
First, frames don't track coordinates, states do. Frames are for
movies; states are for coordinates. Next, instead of using center,
use the origin command with the state parameter specified. Here's
example code for 1NMR a multi-state protein, adjust his for your
application:
python
cmd.fetch("1nmr", async=0)
coord=[]
for i in range(1,cmd.count_states()+1):
cmd.origin("i. 1-24", state=i)
coord.append(cmd.get_position())
print coord
python end
Cheers,
-- Jason
On Thu, Apr 29, 2010 at 8:58 AM, Cun Zhang <apzc2...@gmail.com> wrote:
> hi,
> I have a pdb file with serveral frames, I hope to get the trajectory
> of the center of a selected group of atoms.
> I use the following commands, but return the same coord.
>
> cmd.load("a.pdb")
> coord=[]
> for i in range(cmd.count_frames()):
> cmd.frame(i+1)
> cmd.center('id 1-24')
> coord.append(cmd.get_position())
>
>
> What should I do?
>
> Thank you!
>
> Zhang Cun
>
> --
> Blog: http://www.edwardpku.com/cun
>
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--
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC
(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120
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