Re: [PyMOL] select by absolute coordinate

2009-03-04 Thread Warren DeLano
Martin, It is remarkable that a question like this hasn't come up before, but it reveals a rather large whole in PyMOL's selection language: though we have some proximity operators, we are not currently able to select atoms based on absolute or relative coordinate vector relationships. So

Re: [PyMOL] select by absolute coordinate

2009-03-04 Thread Höfling Martin
Am 04.03.2009 um 06:46 schrieb Warren DeLano: Hey Warren, It is remarkable that a question like this hasn't come up before, but it reveals a rather large whole in PyMOL's selection language: though we have some proximity operators, we are not currently able to select atoms based on

Re: [PyMOL] select by absolute coordinate

2009-03-04 Thread Michael Lerner
Hi, I have a couple of quick notes about your specific application: This works well when bilayers are flat. So, it works well for small bilayers and it works well at the beginning of a simulation. For medium to large bilayers, undulations throughout the simulation will cause this algorithm to

Re: [PyMOL] select by absolute coordinate

2009-03-04 Thread Höfling Martin
Am 04.03.2009 um 17:32 schrieb Michael Lerner: Hey Michael You probably know all of this, but I thought I'd mention it in case someone was tempted to just take your code and apply it individually to each frame of a simulation without really thinking about it. Unfortunately, I've seen