Re: [PyMOL] select clipped atoms

2011-03-03 Thread Johannes Wollbold
Hello Tsjerk, I can use the function and commands. print clipped(clipsed) - but not print clipped(3lzt) - shows the indices of the atoms between the clipping planes Tsjerk Wassenaar wrote: Hi Johannes, Coincidentally, I found myself in need of the same functionality the other day. I came

Re: [PyMOL] select clipped atoms

2011-03-03 Thread Tsjerk Wassenaar
Hi Johannes, I can use the function and commands. print clipped(clipsed) - but not print clipped(3lzt) - shows the indices of the atoms between the clipping planes print clipped(3lzt) should print the indices of atoms that are clipped off by the clipping planes. That works for me, but in

Re: [PyMOL] select clipped atoms

2011-03-02 Thread Tsjerk Wassenaar
Hi Johannes, Coincidentally, I found myself in need of the same functionality the other day. I came up with this: from pymol import cmd def clipped_by(at,v): x,y,z = at.coord nz = v[2]*(x-v[12])+v[5]*(y-v[13])+v[8]*(z-v[14])-v[11] return nz v[15] and nz v[16] def

Re: [PyMOL] select clipped atoms

2011-03-02 Thread Jason Vertrees
Hi Johannes, My guess is that you missed that get_view[0:8] is a _column-major_ rotation matrix. Transpose it before using it. I decided to take a look at this problem for preparation of better clipping planes in PyMOL. I got it to work in PyMOL using Python, after much fussing about. Here's

Re: [PyMOL] select clipped atoms

2011-02-25 Thread Johannes Wollbold
Jason Vertrees wrote: Having said this, you can however, can get the clipping information from PyMOL and write scripts against that yourself to determine atom inclusion. See get_view (http://www.pymolwiki.org/index.php/Get_View) for more help. Hi Jason, thank you again for the hint.

Re: [PyMOL] select clipped atoms

2011-02-25 Thread Tsjerk Wassenaar
Hi Johannes, It's not that hard. The clipping planes are defined by the z coordinate (in the viewing matrix). So you can get the atoms for a selection, transform to get the new z coordinate only, and check whether it's in between the planes: m = cmd.get_model(selection).atom v = cmd.get_view() m

Re: [PyMOL] select clipped atoms

2011-02-25 Thread Johannes Wollbold
Tsjerk Wassenaar wrote: Hi Johannes, It's not that hard. The clipping planes are defined by the z coordinate (in the viewing matrix). So you can get the atoms for a selection, transform to get the new z coordinate only, and check whether it's in between the planes: m =

Re: [PyMOL] select clipped atoms

2011-02-24 Thread Jason Vertrees
Hi Johannes, PyMOL's awareness of and capabilities surrounding clipping planes does not allow this functionality. Improving clipping planes is a higher priority, so I hope to have this updated in the near future. Having said this, you can however, can get the clipping information from PyMOL and