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 alr

[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 rest

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

2010-10-25 Thread Jason Vertrees
Hi Martin, You could think of it as what Tsjerk purported: # pseudocode for iterate def iterate(sel,cmd): for x in selection: return cmd(x) where each 'function' cmd would return a value per atom. For example, # pseucode for an instance of iterate def iterate(organic, 'print b') for

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 mak

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

[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 Date: Mon, Oct 25, 2010 at 12:30 PM Subject: Re: [PyMOL] What is the difference between Atom ID and Index To: Martin Hediger Hi Martin, ID is indeed the atom id from the coord

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

2010-10-25 Thread Tsjerk Wassenaar
... -- Forwarded message -- From: Tsjerk Wassenaar Date: Mon, Oct 25, 2010 at 12:39 PM Subject: Re: [PyMOL] Question about Iterate and Edit-Mode To: Martin Hediger Hi Martin, Without diving into the source, I think it is more like: for i in selection:  execute(command, atom=

[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