Re: [PyMOL] manipulate standard error ?

2006-03-10 Thread Jules Jacobsen
Hi, If you are getting unwanted PyMOL standard errors you can turn them off using the cmd.feedback() commands: cmd.feedback('disable', 'selector', 'everything') cmd.feedback('disable', 'executive', 'everything') to turn them on again: cmd.feedback('enable', 'selector', 'everything') cmd.fee

Re: [PyMOL] Re:

2005-10-18 Thread Jules Jacobsen
Kostas, This command: dist name, sel1, sel2, mode=3D2 doesn't work because the move value should be a whole number ie. 1,2,3 etc. Also unless you have some objects actually called sel1 and sel2 you won't get anything meaningful back. something like this: dist name, resn lys, resn glu, mode=

[PyMOL] Using a seperate python installation

2005-10-07 Thread Jules Jacobsen
Hello All, Can someone tell me wether it is possible to use a stand-alone python installation alongside the latest PyMol releases? I have a few things set up in my main python installation which an older (python free) version of Pymol was happy to use, having installed the newer version it us

Re: [PyMOL] selection help + align question

2005-01-21 Thread Jules Jacobsen
' is the model id you want to align all others against. Written by Jules Jacobsen (jacob...@ebi.ac.uk). Feel free to do whatever you like with this code.""" id = id.lower() pdbList = cmd.get_names() for entry in pdbList[:]: entry = entry.strip()

Re: [PyMOL] selection help + align question

2005-01-21 Thread Jules Jacobsen
#x27;' is the model id you want to align all others against. Written by Jules Jacobsen (jacob...@ebi.ac.uk). Feel free to do whatever you like with this code.""" id = id.lower() pdbList = cmd.get_names() for entry in pdbList[:]: entry = entry.strip

[PyMOL] 0.98 beta 18 Selecting bug

2004-11-23 Thread Jules Jacobsen
al Message Subject: 0.98 beta 18 Selecting Date: Tue, 23 Nov 2004 11:05:01 +0000 From: Jules Jacobsen To: pymol-users@lists.sourceforge.net Hi all, Has anyone else had the problem of not being able to select several identical residue types in aligned structures? eg in the .pse included, if you s

Re: [PyMOL] pymol displays c alpha as nonbonded

2004-11-15 Thread Jules Jacobsen
Hi Matthew, You want: 'set ribbon_trace,1' or 'set cartoon_trace,1' Jules Matthew Bowler wrote: Dear All, I am trying display a c-alpha model in pymol (1qo1), when the file is opened all the atoms are displayed as non-bonded. Is there a way to tell pymol that this is a c-alpha trace an

Re: [PyMOL] problems with PDB format

2004-10-21 Thread Jules Jacobsen
Hi Kostas, What you need to do is create a new object based on the part you wish to view, then centre the view on that object. select objectName, resi 1-55 center objectName alternatively use the 'zoom' command instead of 'center'. As for treating models of an NMR ensemble seperately use the

[PyMOL] Swissprot

2004-10-18 Thread Jules Jacobsen
Hello List, I'm trying to make a plugin which will load various features from a swissprot entry onto a model loaded in PyMol but need to know a few things such as: Where are the sequences of the models stored in pymol and how do I retrieve them? Are these taken from the ATOM or SEQRES sect

Re: [PyMOL] sequence visualisation bug ?

2004-07-15 Thread Jules Jacobsen
Yes, I've got the same problem. Jules Daniel Rigden wrote: Hi all When I visualise sequences, all Glu residues (as well as all Asp residues) are shown as D! Has anyone else seen this? Daniel

Re: [PyMOL] ray-trace stop button?

2004-06-22 Thread Jules Jacobsen
Mark, You don't have to reboot, go to the process tab of windows task manager and end the python image underlying PyMOl. Jules Mark Wilke wrote: Is there any way of stopping a ray trace once it has been started without closing pymol? Some of my ray trace jobs take too long and I want to sto

Re: [PyMOL] problem in installation

2004-04-06 Thread Jules Jacobsen
Yes, i've had the same problem too. Jules On Mon, 5 Apr 2004, Tom Lee wrote: > I have trouble installing PyMOL using pymol-0_95-bin-win32-py23.zip. Here > is the message I got. > > The installer is unable to locate Python. Python must be installed before > PyMOL. Do you wish to abort? > > I h

[PyMOL] negative images

2003-09-18 Thread Jules Jacobsen
Hello Pymol types, I have a quick question- has anyone had any trouble printing out images in word using version 0.9 in word XP? The images look fine when viewed on the screen yet when it comes to printing them out they appear as negatives, including the white background which becomes black.

Re: [PyMOL] PyMOL Lag

2003-07-16 Thread Jules Jacobsen
Jules Moore wrote: PyMOLians and Warren, I am using Redhat Linux 7.1 to run PyMOL. It seems to be slightly lagging. Is this just because of the graphics card? On another computer, a Mac, it runs quickly and smoothly. Does anyone have any advice on how to spice up the beauty that is P

Re: [PyMOL] Re: New Map Formats Coming...

2003-07-11 Thread Jules Jacobsen
| From: "Warren L. DeLano" | To: | Date: Thu, 10 Jul 2003 12:40:23 -0700 | Subject: [PyMOL] New Map Formats Coming... | | PyMOLers, | | In response to user requests, I have added support for BRIX ("O" maps) | and FLD (AVS Field) map formats in the current development version. | Are there any ot

[PyMOL] Further functionality

2003-07-08 Thread Jules Jacobsen
Hi Warren, I was just wondering about a few features that pymol is currently lacking and if/when you were planning on implementing them. 1- calculation of surface potentials- will this be coming soon? 2- Are you thinking of including any kind of sequence viewer and sequence alignment tools to

Re: [PyMOL] Show all states of a multiple MODEL file

2003-06-08 Thread Jules Jacobsen
Hi Steven, Just go to the movies menue and click 'show all states'. Jules On Sun, 8 Jun 2003, Stephan Tatzel wrote: > I have a pdb file containing several states of a Ligand, separated with the > MODEL and ENDMDL keywords. > Opening that file, PyMol creates an object and than loads every Model

Re: [PyMOL] Re: fitting and seq. alignment

2003-02-19 Thread Jules Jacobsen
I agree, what are the exact criteria for fitting in pymol? Currently i'm using SwissPDB viewer for quick fitting as this is pretty robust and usually comes up with something sensible. This is satisfactory for viewing but saving a swiss pdb fit for use in pymol is not. Pymol still seems to have prob

Re: [PyMOL] Inter-PyMOL communication?

2003-02-13 Thread Jules Jacobsen
Wouldn't an easier way to do this be to have a command whereby you tell pymol to rotate/translate all seperate molecules relative to their own centres rather than the group or last loaded molecule centre as it does currently? That way you only need one pymol open and wouldn't need to have a master/

Re: [PyMOL] graphics performance

2003-01-08 Thread Jules Jacobsen
Hi Dirk This might actually be a hardware affect rather than a software effect. The GeForce4 is undoubtably quicker that the GeForce 2 bu there comes a time when the actual CPU is lagging behind in the amount of data it can pass to the GPU- this also includes other limitations such as the graphics

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Jules Jacobsen
be tightly integrated with the PDB databank for their structural checking procedures prior to accepting a model it would make sense that this be used as an industrial standard. Jules Jules Jacobsen MRC Centre for Protein Engineering Cambridge Laboratory of Molecular Biology On Thu, 12 Dec 2002

Re: [PyMOL] multiple objects

2002-12-10 Thread Jules Jacobsen
Hi Michael, If I understand you right you already can do this- make sure that no atoms are selected first then click on the mouse menu so that when you press 'shift' RotF and MovF are implemented. Then all you have to do is move the mouse over the molecule you want to move/rotate whilst holding do

Re: [PyMOL] how to show both ligand and surface

2002-12-09 Thread Jules Jacobsen
Hi Eric, Try: set transparency=0.5 show sticks transparency values from 0-1 hope this helps Jules On Sun, 8 Dec 2002, eric hu wrote: > Hi, I am kinda new to pymol. I wonder if I can show > both ligand and the surface around it. In other word, > can I increase the transparency of the surface

Re: [PyMOL] multi-chain pdb (+ clipping)

2002-11-29 Thread Jules Jacobsen
Hi Luca, To create new objects of chains try this: select R= chain R this will create an object named R from the atoms of chain R. Where chain R is specified in the PDB file. Sorry, i can't help with the Z-plane clipping thing. Jules On Fri, 29 Nov 2002, Luca Fenu wrote: > dear Pymolers, > >

Re: [PyMOL] settings of ribbons and cartoons

2002-11-25 Thread Jules Jacobsen
Hi Kristl The problem is that the secondary structure of your protein hasn't been defined in the PDB file. This is why the cartoon looks ike a tube. What you need to do is type util.ss into the command line and this will calculate some sort of secondary structure for you although it's not that acc

[PyMOL] manual docking of multiple molecules and DNA fragments

2002-10-31 Thread Jules Jacobsen
Does anyone know of a way to dock (read move independantly) two or more molecules in one window? I am aware of the rotate and translate commands but these are really not quick or easy to use. If there isn't any way of doing this can i then add this to a wish list of functions for future releases. T

Re: [PyMOL] distance parameters

2002-10-23 Thread Jules Jacobsen
you can change most of the parameters using set dash_n where n= length, width, gap, radius. Unfortunately dash_color doesn't exist. hope this helps Jules On Tue, 22 Oct 2002, franck coste wrote: > Hi, > I'd like to know if it's possible to change the parameters of the > DISTANCE command (color,

Re: [PyMOL] Mouse problems

2002-10-14 Thread Jules Jacobsen
Have you tried using both left and right mouse buttons at the same time instead of the middle button? Jules On Mon, 14 Oct 2002, J. Evan Sadler wrote: > I have a microsoft intellimouse explorer, OS 10.2.1, and can't seem to get > the mouse to function as a three button mouse. I have apparently n

[PyMOL] Re: NMR ensemble

2002-07-03 Thread Jules Jacobsen
Wed, 3 Jul 2002, Jules Jacobsen wrote: > > > Does anyone know how to display an ensemble of NMR structures without the > > entire ensemble being amalgamated into one big mess? > > If you have MODEL entries in the PDB file, PyMOL will automatically > separate them into separate

[PyMOL] NMR ensemble

2002-07-03 Thread Jules Jacobsen
Hi, Does anyone know how to display an ensemble of NMR structures without the entire ensemble being amalgamated into one big mess? cheers Jules