Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Martin Hediger
yeah, its true. We should work out a tutorial for this kind of things. Something where there is only one line of instruction and one line of command, like: 1) Download a file fetch pdb1.pdb 2) Select all ASP or GLU residues: select acids, resn ASP+GLU 3) Suggestions? Am 02.03.11 22:36, s

Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Hongbo Zhu
On 03/02/2011 10:07 PM, Tsjerk Wassenaar wrote: > Hey :) > > It's good to note that programs are written by programmers, using > programmer's logic. First of all, I was not complaining about the logic of the PyMOL programmers. I tried to help find out the reason that might cause Martin's script

Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Martin Hediger
Hey Hongbo, good way of putting it. Indeed, I think thats what seemed most intuetively to me in the beginning, and so I ended up trying to figure out why 'AND' was not giving me the expected selection. Remembering my boolean algebra lecture from back in the days, I suddendly realized that it ha

Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Tsjerk Wassenaar
Hey :) It's good to note that programs are written by programmers, using programmer's logic.The confusion is not so much caused by the simplified expression, but by users with little background in mathematics/logic assessing 'and' and 'or' from a linguistic background. In computer science and math

Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Hongbo Zhu
I believe the confusion is caused by the simplified selection expression in PyMOL (and some other visualization tools as well). I remember that one of my colleagues once questioned strongly the reason of using OR instead of AND in such situation. The expression: select resn GLU or resn ASP ac

Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Tim Travers
Hi, Seems to work fine for me. I'm using version 1.3, although I doubt that this could be a version compatibility problem. Could you give more specifics on how it doesn't work for you (ASPs not colored red or GLUs not colored red, etc.) ? Note that the parenthesis around 'resn glu' aren't needed.

Re: [PyMOL] Selecting ASP and GLU

2011-03-02 Thread Maia Cherney
For me, color red, resn asp+glu works. Maia Martin Hediger wrote: > Dear all > What is the selection syntax to select all GLU and ASP residues within > an object? > > I'm trying it the way its written on the wiki: > remove resn hoh# remove water > h_add # add hydrogens > > a

Re: [PyMOL] Selecting ASP and GLU

2011-03-01 Thread Robert Campbell
Hi Martin, On Tue, 01 Mar 2011 13:44:36 +0100 Martin Hediger wrote: > Dear all > What is the selection syntax to select all GLU and ASP residues within > an object? > > I'm trying it the way its written on the wiki: > > remove resn hoh# remove water > h_add # add hydrogens >

Re: [PyMOL] Selecting ASP and GLU

2011-03-01 Thread Jason Vertrees
Hi Martin, To select all ASPs and GLUs just type, select resn GLU+ASP or select resn GLU or resn ASP or, if you need parentheses, select ((resn GLU) or (resn ASP)) Maybe this will help: # fetch a test protein fetch 1rsy, async=0 # color all ASPs and GLUs red color tv_red, (resn ASP or r

Re: [PyMOL] Selecting ASP and GLU

2011-03-01 Thread Sampson, Jared
Hi Martin - ** Short answer: Use `resn asp+glu` (although your original command actually works for me). ** Not-so-short answer, with a bonus question about comment syntax: The Asp/Glu line of your script can be condensed slightly using a plus sign, but the original syntax of that line actually

Re: [PyMOL] Selecting ASP and GLU

2011-03-01 Thread David Rodríguez
Hi Martin, Try the following: color tv_red, resn asp+glu or color tv_red, resn asp or resn glu Cheers, 2011/3/1 Martin Hediger > Dear all > What is the selection syntax to select all GLU and ASP residues within an > object? > > I'm trying it the way its written on the wiki: > > remove resn h

Re: [PyMOL] Selecting ASP and GLU

2011-03-01 Thread Tsjerk Wassenaar
Hi Martin, The wiki way should work. The only thing I can think of is that you're not doing what you think you're doing :S Did you copy paste the commands from the wiki? Did you get an error? What version are you using? > but, the selection kind of does not work for me (I'm assuming the operator

[PyMOL] Selecting ASP and GLU

2011-03-01 Thread Martin Hediger
Dear all What is the selection syntax to select all GLU and ASP residues within an object? I'm trying it the way its written on the wiki: remove resn hoh# remove water h_add # add hydrogens as surface color grey90 color slate, resn lys # lysines in light blue color pal