Re: [PyMOL] How to get the coordinates of the center of a group of atoms?

2010-04-29 Thread Cun Zhang
Dear Jason, Thank you for you quick reply! And This problem is solved! Yours, Zhang Cun On Thu, Apr 29, 2010 at 9:31 PM, Jason Vertrees wrote: > 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 > movi

Re: [PyMOL] How to get the coordinates of the center of a group of atoms?

2010-04-29 Thread Jason Vertrees
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 m

[PyMOL] How to get the coordinates of the center of a group of atoms?

2010-04-29 Thread Cun Zhang
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(cm