Re: [PyMOL] Missing parts in cartoon mode

2005-10-19 Thread randkasper
Well ill be d..! The .pse file you send me shows the loops just
fine. I´m still puzzled as to why PyMol 0.98 on win2000 fails to show
those loops but now I can just use your .pse file as a template and work
my way around it. Ill also try upgrading as Warren suggest. Anyways,
thanks a lot for the help, it is greatly appreciated!
 
Cheers 
kasper

-Original Message-

 From: Joel Tyndall
Sent: 10/18/2005 10:17:30 PM
To: randkas...@icqmail.com
Subject: Re: [PyMOL] Missing parts in cartoon mode 

Hi again, 

Hmmm had a look and it looks fine to me. I'm assuming you're looking at 
chain H. See if you can open this pse file which is displaying the 
cartoon. The only strange thing is that there is no residue 218. sorry I
can't be of any more help. might be worth sending Warren/me a pse of the
problem? 

See ya 

J 

PS thats a windows pse file and should work 

randkas...@icqmail.com wrote: 

 Hi Joel 
 The two missing loops of the 1DAN structure when in cartoon mode are 
 located to res. 183-189 and 220-220. I´m using a standard PC with 
 Windows 2000. 
 Any suggestions? A fellow collegue in my lab is having identical 
 troubles but he´s also using a PC with win2000. Its quite frustrating 
 because the rest of the structure looks great in PyMol! 
 
 Cheers Kasper 
 The two missing loops of the 1DAN structure when in cartoon mode are 
 located to res. 183-189 and 220-220. I´m using a standard PC with 
 Windows 2000. 
 Any suggestions? A fellow collegue in my lab is having identical 
 troubles but he´s also using a PC with win2000. Its quite frustrating 
 because the rest of the structure looks great in PyMol! 
 
 Cheers Kasper 
 
 
 -Original Message- 
 *From: Joel Tyndall* 
 Sent: 10/17/2005 12:07:00 AM 
 To: randkas...@icqmail.com 
 Subject: Re: [PyMOL] Missing parts in cartoon mode 
 
 Hey Kasper, 
 
 which loops can't you see (amino acid nos./chain/)? what OS are you on
 (OSX, PC, Linux?) I have had a look and it looks ok on windows 
 
 Cheers 
 
 J 
 
 randkas...@icqmail.com wrote: 
 
  Hi everybody 
  I am getting quite desperate! For some strange reason PyMol do not 
  display certain areas (several loops) of my .pdb file (1DAN) when in
  cartoon display mode. When I display the structure in lines or 
  sticks everything is ok. Other pdb-viewers dont have this problem 
  with the same .pdb file. I have tried several things: 
  1. Upgraded to the newest version og PyMol. 
  2. Redefined secondary structure using the alter command. 
  3. Imported the .pdb file into SwissViewer, saved as the imported 
  structure as a .pdb file, and then imported into PyMOl. 
  
  None of these things have solved the problem. Help please! (I would 
  hate to have to start using another pdb-viewer!!) Cheers Kasper 
  
  ___ 
  ICQ - You get the message, anywhere! 
  Get it @ http://www.icq.com 
  
  
  
 
 -- 
 Joel Tyndall, PhD 
 
 Lecturer 
 National School of Pharmacy 
 University of Otago 
 PO Box 913 Dunedin 
 NNew Zealand 
 
 Pukenga 
 Te Kura Taiwhanga Putaiao 
 Te Whare Wananga o Otago 
 Pouaka Poutapeta 913 Otepoti 
 Aotearoa 
 
 Ph / Waea +64 3 4797293 
 Fax / Waeawhakaahua +64 3 4797034 
 
 
 . 
 
 ___ 
 ICQ - You get the message, anywhere! 
 Get it @ http://www.icq.com 
 
 
 

-- 
Joel Tyndall, PhD 

Lecturer 
National School of Pharmacy 
University of Otago 
PO Box 913 Dunedin 
New Zealand 

Pukenga 
Te Kura Taiwhanga Putaiao 
Te Whare Wananga o Otago 
Pouaka Poutapeta 913 Otepoti 
Aotearoa 

Ph / Waea +64 3 4797293 
Fax / Waeawhakaahua +64 3 4797034 





Pfont face=Arial, Helvetica, sans-serif size=2 
style=font-size:13.5px___BRfont
 face=Arial, Helvetica, sans-serif size=2 style=font-size:13.5pxICQ - 
You get the message, anywhere!brGet it @ a href=http://www.icq.com; 
target=newhttp://www.icq.com/a/fontbrbrnbsp;/font/font

Re: [PyMOL] Need testers for new MacPyMOL on Tiger

2005-10-19 Thread khinsen

On Oct 14, 2005, at 17:50, Warren DeLano wrote:



For cutting-edge Mac users, there is a new MacPyMOL for Tiger that
integrates into a single window and links to the system Python instead
of bringing its own copy (in part this is necessary preparation for
Intel...).

http://delsci.com/beta

Please let me know how it works for you!



It works fine on the few quick tests that I did. It looks fine as  
well, I much prefer the single window approach. Using the system  
Python is also a step in the right direction... now... if it also  
came with NumPy support compiled in... I might actually use it!


Konrad.
--
-
Konrad Hinsen
Laboratoire Léon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: khin...@cea.fr
-






[PyMOL] Mac Stereo 3D: Breaking News

2005-10-19 Thread Warren DeLano
See New Power Macs on

http://www.macworld.com/news/2005/10/19/liveupdate/index.php

The first Quad-core Mac and the the first with a Quadro FX 4500 graphics
card! 

Do you know what this implies?

Cheers,
Warren
--
Warren L. DeLano, Ph.D. 
Principal Scientist

. DeLano Scientific LLC  
. 400 Oyster Point Blvd., Suite 213   
. South San Francisco, CA 94080 USA   
. Biz:(650)-872-0942  Tech:(650)-872-0834 
. Fax:(650)-872-0273  Cell:(650)-346-1154
. mailto:war...@delsci.com  




[PyMOL] PyMOL featured on Apple Store site?

2005-10-19 Thread D. Joe Anderson
So, that sure looks like PyMOL to me (actually, four instances
of it) running on the display of a PowerMac G5 on the
newly-updated Apple Store website today.

My question is, which structure is that?

-- 
D. Joe Anderson, Asst. Sci.2252 Molecular Biology Bldg   
  Biochem, Biophys,  Mol Bio  Iowa State Univ, Ames, IA 50010
How to Report Bugs Effectively
http://www.chiark.greenend.org.uk/~sgtatham/bugs.html



Re: [PyMOL] PyMOL featured on Apple Store site?

2005-10-19 Thread Sabuj Pattanayek
Do you have the URL?

D. Joe Anderson wrote:
 So, that sure looks like PyMOL to me (actually, four instances
 of it) running on the display of a PowerMac G5 on the
 newly-updated Apple Store website today.
 
 My question is, which structure is that?
 




Re: [PyMOL] PyMOL featured on Apple Store site?

2005-10-19 Thread Sabuj Pattanayek
nm, I found the url:

http://store.apple.com/1-800-MY-APPLE/WebObjects/AppleStore.woa/72303/wo/iG1ZdpmENibK2kKdLwyNuAAR9NW/0.SLID?nclm=PowerMacmco=586014F6

D. Joe Anderson wrote:
 So, that sure looks like PyMOL to me (actually, four instances
 of it) running on the display of a PowerMac G5 on the
 newly-updated Apple Store website today.
 
 My question is, which structure is that?
 




RE: [PyMOL] PyMOL featured on Apple Store site?

2005-10-19 Thread Warren DeLano
They've got MacPyMOL two places on this site:

http://www.apple.com/powermac/graphics.html

Be sure to note the explicit mention of stereo 3D in a window down
near the bottom.  

Amazing!  The Stereo 3D Matters to Me campaign actually worked.  

Apple really *is* serious about meeting our needs.  

Cheers,
Warren

PS. IL2 on top, hexameric insulin in the bottom right.

--
Warren L. DeLano, Ph.D. 
Principal Scientist

. DeLano Scientific LLC  
. 400 Oyster Point Blvd., Suite 213   
. South San Francisco, CA 94080 USA   
. Biz:(650)-872-0942  Tech:(650)-872-0834 
. Fax:(650)-872-0273  Cell:(650)-346-1154
. mailto:war...@delsci.com  
 

 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Sabuj Pattanayek
 Sent: Wednesday, October 19, 2005 10:38 AM
 To: pymol-users@lists.sourceforge.net
 Subject: Re: [PyMOL] PyMOL featured on Apple Store site?
 
 Do you have the URL?
 
 D. Joe Anderson wrote:
  So, that sure looks like PyMOL to me (actually, four 
 instances of it) 
  running on the display of a PowerMac G5 on the newly-updated Apple 
  Store website today.
  
  My question is, which structure is that?
  
 
 
 
 ---
 This SF.Net email is sponsored by:
 Power Architecture Resource Center: Free content, downloads, 
 discussions, and more. http://solutions.newsforge.com/ibmarch.tmpl
 ___
 PyMOL-users mailing list
 PyMOL-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/pymol-users
 
 
 
 



[PyMOL] CRT vs flat panel stereo on Mac question

2005-10-19 Thread Mark Mayer

Warren

Exciting news.

Any thoughts on whether it will be possible to run stereo on a flat 
panel? At minimum seems like we can retire SGIs and use the CRT 
monitors?


Also, quad processors are nice, but for those of us with recent G5s 
is all we need the new graphics card?

--
Mark Mayer Ph.D.
LCMN NICHD NIH DHHS
Bldg 35, Room 3B 1002 MSC 3712
35 Lincoln Drive
Bethesda MD 20892 3712
Phone: 301-496-9346 (office); 301-496-9347 (lab); FAX 301-496-2396
Lab web site: http://mayerlab.nichd.nih.gov

Send packages, Fedex and anything requiring a signature to:

Bldg 35, Room 3B 1004
35 Lincoln Drive
Bethesda MD 20892




[PyMOL] Stereo 3D Monitors Equipment

2005-10-19 Thread Warren DeLano
Here is some current information for those of you ordering yourself a
new Quad Quadro-based Mac for doing Stereo 3D visualization.  You will
also need a good CRT, a stereo signal emitter, and shutter glasses.  

Stereo 3D glasses  emitters:

- More expensive: StereoGraphics
http://www.stereographics.com/products/crystaleyesworkstation/index.htm
l

- Less expensive: NuVision3D
http://www.nuvision3d.com/the60gx.html

Thanks to LCD dominance, it is getting mucher harder to find a good CRT.
You may need to hunt around a bit and perhaps buy pre-owned.

The critical monitor specifications for Stereo 3D are:

- Must be a CRT (not an LCD).
- Should be as big as you can afford (20-22).
- HD15 VGA input (DVI very rare).
- Vertical refresh must be at least 120 Hz.
- Horizontal sync frequency must be at least 130 kHz (ideally 140 kHz).

Note that the last point is CRITICAL.  Do not buy a CRT monitor for
stereo 3D until you have confired that it can do a horizontal sync of at
least 130 kHz.  Beware of consumer monitors have horizontal sync limits
of 80-120 kHz and thus cannot do stereo well.

Good stereo-capable CRT displays still available NEW:

- Philips 202P73 
http://www.cdw.com/shop/products/specs.aspx?EDC=812337 
http://www.insight.com/site/product/detail/index.cfm?item_number=201B45
74

- Iiyama Vision Master Pro 514 / HM204DT
http://www.cdw.com/shop/products/default.aspx?EDC=453522

Good stereo-capable displays that are discontinued (buy USED on eBay,
etc.):

- IBM ThinkVision C220p (discontinued)
- HP p1230 CRT Monitor (P9613W) (discontinued)
- DELL p1230 (discontinued)
- Sony GDM-C520K (discontinued)
- NEC FP2141SB-BK (discontinued)
- NEC-Mitsubishi Diamond Pro 2070SB-BK (discontinued)
- Sun X7149A (discontinued)

Borderline displays:
 
- ViewSonic, P225FB (H-sync: 127 kHz - good for 1280x960 @ ~110 Hz)
- Samsung SyncMaster 1100 DF (H-sync: 121 kHz)
- Sun X7149A (H-sync: 121 kHz)

Unsuitable displays:

- ViewSonic G220f/fb, G810, G90f/fb
- Philips 201B40, 201B45
- NEC Accusync 120
- Mitsubishi Diamond Pro 930SB
- Samsung SyncMaster 1000 P, 997DF/997MB 

See: http://monitors.alege.net for info on tons of monitors, old  new.

Cheers,
Warren

--
Warren L. DeLano, Ph.D. 
Principal Scientist

. DeLano Scientific LLC  
. 400 Oyster Point Blvd., Suite 213   
. South San Francisco, CA 94080 USA   
. Biz:(650)-872-0942  Tech:(650)-872-0834 
. Fax:(650)-872-0273  Cell:(650)-346-1154
. mailto:war...@delsci.com  




[PyMOL] Stereo

2005-10-19 Thread Mark Mayer

Not sure I understand Warren's post:


 Also, quad processors are nice, but for those of us with
 recent G5s is all we need the new graphics card?


I hope -- that along with an OS / OpenGL driver upgrade...

Does this mean that until Apple release an OS / OpenGL driver 
upgrade, stereo is still not possible on OS X even with new hardware?


Mark

[PyMOL] Query variable value

2005-10-19 Thread Olivier Julien

PyExperts:

When inside PyMOL, how do I find out the value of a variable without 
using 'set'?


For example, I can type:
 set specular, 1
and then I know, specular = 1.

But how do I find out specular's (or ANY variable's) value without 
changing it?


Thanks,

Olivier

--
Olivier Julien
PhD prov student
Dr Brian D. Sykes Lab
Department of Biochemistry
4-19 Medical Sciences Building
University of Alberta
Edmonton (AB) Canada T6G 2H7
(780) 492-3006
Email: ojul...@ualberta.ca
Web: http://pelican.rsvs.ulaval.ca/oli/olivier.html




RE: [PyMOL] edgelines between molecules

2005-10-19 Thread Mark A Saper

Balaji:

I've done this by making a surface of just the domain I want to  
highlight, then bring it into Photoshop.  Select the background, then  
invert the selection.  Then convert selection to path and then stroke  
the path.


Here is an example:

[ Attachment only sent to Balaji, available on request ]

Layer 0 is a regular surface of the residues involved in a dimer  
interface.  Layer 1 is the stroked path.  Layer 2 is a surface with  
charge potential of the entire region.  Displaying Layer 1 and Layer  
2 gives the desired figure.


Have fun,
Mark



Date: Wed, 19 Oct 2005 15:44:35 -0400
From: Balaji Bhyravbhatla balaji.bhyravbha...@umassmed.edu
To:  pymol-users@lists.sourceforge.net
Subject: [PyMOL] edgelines between molecules

Hello All,
I have a large mega-dalton multi chain structure that I would like to
make an overview (surface) figure. Instead of using many colors  
(13subunits)

I would like to use one color and demarcate the subunits by some other
means.One way would be to generate some sort of edge lines between the
molecules. Is that possible, if so how?

If anyone has any other suggestions please send them my way, it  
would be

highly appreciated.

Thanks


Balaji



_
Mark A. Saper, Ph.D.
Associate Professor of Biological Chemistry
Biophysics Research Division, University of Michigan
Chemistry Building Room 3040
930 N University Ave
Ann Arbor MI 48109-1055 U.S.A.

sa...@umich.edu(734) 764-3353fax (734) 764-3323
http://www.biochem.med.umich.edu/biochem/research/profiles/saper.html





[PyMOL] Re: PyMOL-users digest, Vol 1 #1032 - 3 msgs

2005-10-19 Thread tree
Oliver,

I know it'll sound crazy but -- get.  :-)

For example,
 get two_sided_lighting
or
 get bg_rgb

I think this is covered on the Wiki somewhere, too.
(http://www.pymolwiki.org/)

HTH,

-- Jason

On Wed, 2005-10-19 at 20:24 -0700,
pymol-users-requ...@lists.sourceforge.net wrote:
 Message: 3
 Date: Wed, 19 Oct 2005 16:12:25 -0600
 From: Olivier Julien ojul...@rsvs.ulaval.ca
 To: PyMOL-users@lists.sourceforge.net
 Subject: [PyMOL] Query variable value
 
 PyExperts:
 
 When inside PyMOL, how do I find out the value of a variable without 
 using 'set'?
 
 For example, I can type:
   set specular, 1
 and then I know, specular = 1.
 
 But how do I find out specular's (or ANY variable's) value without 
 changing it?
 
 Thanks,
 
 Olivier
 
 -- 
 Olivier Julien
 PhD prov student
 Dr Brian D. Sykes Lab
 Department of Biochemistry
 4-19 Medical Sciences Building
 University of Alberta
 Edmonton (AB) Canada T6G 2H7
 (780) 492-3006
 Email: ojul...@ualberta.ca
 Web: http://pelican.rsvs.ulaval.ca/oli/olivier.html
-- 
Jason Vertrees (javer...@utmb.edu)
BSCB Graduate Student @ UTMB, Galveston
http://www.bscb.utmb.edu :: BSCB @ UTMB
http://best.utmb.edu :: B.E.S.T. @ UTMB
http://pymolwiki.org :: PyMol Wiki