[PyMOL] What is the difference between Atom ID and Index

2010-10-25 Thread Martin Hediger
Dear All I'm trying to figure out for myself, what the two labels 'Label Atom Identifiers ID' and 'Label Atom Identifiers index' mean, or what the respective difference between the two is. For sure, the numerical value is very different when I show the labels in a structure. ID seems to be

[PyMOL] Fwd: Question about Iterate and Edit-Mode

2010-10-25 Thread Tsjerk Wassenaar
... -- Forwarded message -- From: Tsjerk Wassenaar tsje...@gmail.com Date: Mon, Oct 25, 2010 at 12:39 PM Subject: Re: [PyMOL] Question about Iterate and Edit-Mode To: Martin Hediger ma@bluewin.ch Hi Martin, Without diving into the source, I think it is more like: for i in

[PyMOL] Fwd: What is the difference between Atom ID and Index

2010-10-25 Thread Tsjerk Wassenaar
Never get used to that only-reply-to-sender policy... -- Forwarded message -- From: Tsjerk Wassenaar tsje...@gmail.com Date: Mon, Oct 25, 2010 at 12:30 PM Subject: Re: [PyMOL] What is the difference between Atom ID and Index To: Martin Hediger ma@bluewin.ch Hi Martin, ID

Re: [PyMOL] Fwd: What is the difference between Atom ID and Index

2010-10-25 Thread Martin Hediger
Thanks Tsjerk (on both occasions). As a matter of fact, I'm kind of making a living out of writing a Python script once in a while, so thats no worry ;) What I was trying to get at was that I was trying to understand how certain PyMOL scripts work, and naturally from that become able to improve

Re: [PyMOL] Fwd: What is the difference between Atom ID and Index

2010-10-25 Thread Jason Vertrees
Hi Martin Tsjerk, There is a another difference between the two aside from the off-by-one characteristic. PyMOL has to keep track of atoms, so a simple 'index' could work. But, then when the user removes an atom from the middle of a structure, do we shift indices above it down? (This could

[PyMOL] Bug in Snow Leopard

2010-10-25 Thread Thomas Grant
Hi all, I'm using PyMOL version 1.3 installed via Fink on my MacBook Pro with Snow Leopard 10.6.4. I've noticed a strange OS-specific bug when using the Spaces feature of my Mac while running PyMOL. If I attempt to change Space, my system appears to do some sort of restart, without actually

Re: [PyMOL] Bug in Snow Leopard

2010-10-25 Thread Sampson, Jared
Hi Tom - I’ve also experienced this behavior, which led me to a) attempt to learn not to switch Spaces while using Fink-installed X11 PyMOL (other X11 programs, e.g. CCP4i, appear not to have the same issue); b) make all of my figures using .pml scripts so that if I’ve changed something it’s