RE: [PyMOL] adding residues

2004-03-26 Thread Warren DeLano
Sergio,

PyMOL probably isn't the best tool for doing this, but it can be done:

To add to a free N-terminus, pick (ctrl-middle-click) the N-terminal
nitrogen, and then press Alt-Letter (on Macs, Option-Letter) for the amino
acid you want:

For example:  Alt-G adds a glycine

To add onto the C-terminus, pick the C-terminal carbon, and do the same.

If you'd like to remove hydrogens after you're done, type

remove hydro

Or select "Auto-remove hydrogens" from the Setting menu.

Cheers,
Warren


> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net 
> [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
> Sergio Modesto Vechi
> Sent: Friday, March 26, 2004 11:42 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] adding residues
> 
> Hi all,
> 
> 
> I load my protein pdb file and I'm trying to add the missing 
> residues to this molecule. Anyone knows how to do it?
> 
> Thanks in advance,
> 
> 
> Sergio.
> 
> 
> 
> ---
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Re: [PyMOL] adding residues

2004-03-26 Thread Ezequiel Panepucci
Oi Sergio,

You should pick (PkAt) either the atom N or C
depending towards which end you want to extend
the chain:

   N  ==> to extend the N-terminus
   C  ==> to extend the C-terminus

and then select the residue you want to add
from the Build->Residue menu.


Um abraco,
Zac

On Fri, 26 Mar 2004, Sergio Modesto Vechi wrote:

| Hi all,
| 
| 
| I load my protein pdb file and I'm trying to add the missing residues to
| this molecule. Anyone knows how to do it?
| 
| Thanks in advance,
| 
| 
| Sergio.
| 
| 
| 
| ---
| This SF.Net email is sponsored by: IBM Linux Tutorials
| Free Linux tutorial presented by Daniel Robbins, President and CEO of
| GenToo technologies. Learn everything from fundamentals to system
| administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click
| ___
| PyMOL-users mailing list
| PyMOL-users@lists.sourceforge.net
| https://lists.sourceforge.net/lists/listinfo/pymol-users
| 

 Ezequiel Panepucci, Ph.D. - Laboratory of Prof. Axel Brunger
 HHMI - Stanford University
 Phone: 650-736-1714 Cell:  650-714-9414




[PyMOL] adding residues

2004-03-26 Thread Sergio Modesto Vechi

Hi all,


I load my protein pdb file and I'm trying to add the missing residues to
this molecule. Anyone knows how to do it?

Thanks in advance,


Sergio.




RE: [PyMOL] opaque interiors flag

2004-03-26 Thread Warren DeLano
Ken,

set ray_interior_color, color-name

eg:

set ray_interior_color, grey30

 To restore default:

set ray_interior_color, -1

Cheers,
Warren

> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net 
> [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
> Kenneth Dale Westover
> Sent: Friday, March 26, 2004 8:27 AM
> To: PyMOL-users@lists.sourceforge.net
> Subject: [PyMOL] opaque interiors flag
> 
> Anyone know the command (for scripting) to set the opaque 
> interiors flag? 
> In the GUI it's under Display > Rendering > Opaque Interiors.
> 
> Thanks,
> Ken
> 
> 
> ---
> This SF.Net email is sponsored by: IBM Linux Tutorials Free 
> Linux tutorial presented by Daniel Robbins, President and CEO 
> of GenToo technologies. Learn everything from fundamentals to 
> system 
> administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click
> ___
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> 





RE: [PyMOL] CGO shading

2004-03-26 Thread Gareth Stockwell
On Thu, 2004-03-25 at 18:38, Warren DeLano wrote:
> You need to provide normal vectors too.  Otherwise OpenGL & the
> raytracer won't be able to light them correctly.

OK, that works fine now.  If anyone else is interested in making CGO
'walls', a simple script is now on my PyMOL page (it's called walls.py)

http://www.ebi.ac.uk/~gareth/pymol/

Gareth


> > -Original Message-
> > From: pymol-users-ad...@lists.sourceforge.net 
> > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
> > Gareth Stockwell
> > Sent: Thursday, March 25, 2004 10:04 AM
> > To: pymol-users
> > Subject: [PyMOL] CGO shading
> > 
> > 
> > Hi there,
> > 
> > Does anyone know how to get CGO objects to be properly shaded?
> > 
> > For example, if I create two triangles which lie in 
> > perpendicular planes...
> > 
> > obj = [
> > 
> > BEGIN, TRIANGLES,
> > 
> > COLOR, 1, 0, 0,
> > VERTEX, 0, 0, 0,
> > VERTEX, 1, 0, 0,
> > VERTEX, 1, 1, 0,
> > 
> > COLOR, 1, 0, 0,
> > VERTEX, 0, 0, 0,
> > VERTEX, 1, 0, 0,
> > VERTEX, 1, 0, 1,
> > 
> > END
> > ]
> > 
> > cmd.load_cgo(obj,'triangles')
> > 
> > 
> > ... the colour of both triangles looks identical, in either 
> > OpenGL or ray-traced rendering.  
> > 
> > I want to use CGOs to create 'floor' and 'walls' as a 
> > backdrop to ray-traced images, to give better perspective.  
> > At the moment, I have to manually set the shade of each wall 
> > in order to get it to look right.
> > 
> > Details of my setup:
> >   PyMOL version 0.95 beta, running on Linux
> >   GL_VENDOR: 2d3D, Inc
> >   GL_RENDERER: Mesa DRI Intel(R) 845G 20021115
> >   GL_VERSION: 1.2 Mesa 4.0.4
> > 
> > Cheers,
> > Gareth
> > 
-- 
---
 Gareth Stockwell
 EMBL - European Bioinformatics Institute
 Wellcome Trust Genome Campus
 Hinxton
 Cambridge CB10 1SD gar...@ebi.ac.uk
 Tel 01223 492548   http://www.ebi.ac.uk/~gareth




[PyMOL] opaque interiors flag

2004-03-26 Thread Kenneth Dale Westover
Anyone know the command (for scripting) to set the opaque interiors flag? 
In the GUI it's under Display > Rendering > Opaque Interiors.

Thanks,
Ken



RE: [PyMOL] embeding pymol in a web page

2004-03-26 Thread Gareth Stockwell
Einat,

On Thu, 2004-03-25 at 18:50, Warren DeLano wrote:
> For web-page embeddable molecular graphics today, look to Jmol:
> http://jmol.sourceforge.net

Another alternative is the AstexViewer Java applet - free, but
unfortunately closed source.
  http://www.astex-technology.com/AstexViewer/visualisation/index.html

The MSD at EBI have developed an extended version, in use here:
  http://www.ebi.ac.uk/msd-srv/apps/Viewer/ViewerServlet?id=1atp
It has some nice features, like showing the sequence of the protein and
allowing you to zoom in on a residue when clicked in the sequence.  

I'm not sure about the licence position on the EBI version though; if
you're interested, I'm sure someone from the MSD group could help out.

Gareth

-- 
---
 Gareth Stockwell
 EMBL - European Bioinformatics Institute
 Wellcome Trust Genome Campus
 Hinxton
 Cambridge CB10 1SD gar...@ebi.ac.uk
 Tel 01223 492548   http://www.ebi.ac.uk/~gareth