Re: [PyMOL] RMS

2009-09-11 Thread Warren DeLano
Carlos, David, etc., >From the open-source code: http://pymol.svn.sourceforge.net/viewvc/pymol/trunk/pymol/layer4/Cmd.c The returned rms values are as follows (in order): return Py_BuildValue("(fiififi)", rms_info.final_rms, rms_info.final_n_atom, rms_info.n_cycles_run, rms_inf

Re: [PyMOL] Alignment Objects

2009-09-11 Thread Nathaniel Echols
On Fri, Sep 11, 2009 at 1:59 PM, Maia Cherney wrote: > Is it posible in pymol to select all residues of a certain type > automatically, like all arginines or all lysines + arginines in a chain? select resnam arg select chain A and (resnam lys or resnam arg) -

Re: [PyMOL] Alignment Objects

2009-09-11 Thread Warren DeLano
Maia, select all_arg_lys, resn arn+lys Cheers, Warren > -Original Message- > From: Maia Cherney [mailto:ch...@ualberta.ca] > Sent: Friday, September 11, 2009 2:03 PM > To: pymol-users@lists.sourceforge.net > Subject: Re: [PyMOL] Alignment Objects > > Hi, > Is it posible in pymol to sele

Re: [PyMOL] Morph Movies

2009-09-11 Thread Warren DeLano
Colin, Can you describe what you are trying to accomplish (overall) in more detail? There are different approaches one could take depending on the objective... The simplest, but limited approach is to use the mset and madd commands with variable numbers of frames: # show the initial state (1) f

Re: [PyMOL] Alignment Objects

2009-09-11 Thread Maia Cherney
Hi, Is it posible in pymol to select all residues of a certain type automatically, like all arginines or all lysines + arginines in a chain? Maia -- Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30

[PyMOL] Morph Movies

2009-09-11 Thread Colin Levy
Hi, Anyone know how I can include a morph in the middle of a more complex movie? I have generated the morph (refine_rigimol.pdb) but cant figure how to include this set of frames into the middle of my movie. Im using Macpymol 1.2 ( generated the rigimol morph in ipymol). Many thanks Colin

Re: [PyMOL] Alignment Objects

2009-09-11 Thread Robert Campbell
Hi David On Thu, 10 Sep 2009 14:47:43 -0700 (PDT) David Hall wrote: > Is there any documentation on getting information out of alignment objects > into scripts? I tried looking around the wiki, but I didn't see anything. > > I'm just wondering things like if I have a residue in one object, find

Re: [PyMOL] pymol does not open from a terminal

2009-09-11 Thread Andreas Forster
Maia, you have to install libpng and/or libpng-devel. Andreas On Fri, Sep 11, 2009 at 3:04 AM, Maia Cherney wrote: > Hi, > Could you please help me with a pymol problem. I have ubuntu linux and I > have pymol in the /usr/bin (comes with ubuntu installation) and also one > in the /programs/lin