[PyMOL] rgb to cmyk woes

2004-09-16 Thread Roger Dodd

Hi all,

I'm trying to prepare some figures for publication and of course the 
journal requires them in cmyk format. I have produced the images in 
pymol using the cmyk color space and saved them as png files. However, 
the png files themselves are in 24 bit rgb format if I'm correct. Trying 
to subsequently convert them to cmyk format tiff files in photoshop or 
coreldraw results in all the colors being mangled (becoming duller and 
darker). Is there some trick to converting to the cmyk color space 
without altering the colors - I assumed working in the cmyk mode in 
PyMOL would ensure this didn't occur?


Thanks in advance for any help

Roger Dodd



RE: [PyMOL] rgb to cmyk woes

2004-09-16 Thread Warren DeLano
Roger,

CMYK and RGB are non-equivalent, and there will always be some mangling like
what you describe.  The CMYK color mode in PyMOL is an attempt to constrain
PyMOL to using the a subset of RGB values that can be mapped reliably into
the CMYK color space, at least via Photoshop.  It's not a perfect solution,
but it usually gives better results than trying to convert normal RGB
images.  

The best advice I can offer is to try changing the PyMOL colors slightly,
and to then use the color adjustments in Photoshop to fix the image as best
you can.

Cheers,
Warren

--
mailto:war...@delsci.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154 
Fax   (650)-593-4020
  

 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Roger Dodd
 Sent: Thursday, September 16, 2004 4:23 AM
 To: pymol-users@lists.sourceforge.net
 Subject: [PyMOL] rgb to cmyk woes
 
 Hi all,
 
 I'm trying to prepare some figures for publication and of 
 course the journal requires them in cmyk format. I have 
 produced the images in pymol using the cmyk color space and 
 saved them as png files. However, the png files themselves 
 are in 24 bit rgb format if I'm correct. Trying to 
 subsequently convert them to cmyk format tiff files in 
 photoshop or coreldraw results in all the colors being 
 mangled (becoming duller and darker). Is there some trick to 
 converting to the cmyk color space without altering the 
 colors - I assumed working in the cmyk mode in PyMOL would 
 ensure this didn't occur?
 
 Thanks in advance for any help
 
 Roger Dodd
 
 
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[PyMOL] Two maps subtraction?

2004-09-16 Thread vkirill
Dear pymol-users,

It is possble to subtract the values written in two diffrent maps in
Pymol. Maps of electrostatic potential are in AVS format (generated by MEAD).


Best regards,
 Votyakov Kirill
 Center of Biophysics
 MIPT




RE: [PyMOL] ATI Mobility Radeon 9000 Problems (?)

2004-09-16 Thread Warren DeLano
Hi All,

The crash problem with some rate combinations of Radeon hardware and drivers
has been identified and eliminated.  Thanks to everyone who responded.  

This turned out to be an issue of the driver not completely flushing the
OpenGL pipeline before returning pixels from the display buffer.  The driver
got confused and was bringing down the whole system as a result.  The
problem goes away if we manually flush the pipeline before issuing any
glReadPixels calls.

Thus, it is one again safe to buy Mobility Radeon 9000 hardware for use with
PyMOL! (the latest beta has the patch http://delsci.com/beta ).

Cheers,
Warren


 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Warren DeLano
 Sent: Monday, September 13, 2004 8:34 PM
 To: pymol-users@lists.sourceforge.net
 Subject: [PyMOL] ATI Mobility Radeon 9000 Problems (?)
 
 PyMOL Users,
 
 A major PyMOL sponsor is having problems with the Mobility 
 Radeon 9000 chip on their Dell laptops under Windows XP.  I 
 am curious to know whether others have seen or are 
 encountering similar problems with this chipset.  The issue 
 is as follows:
 
 When attempting to choose atoms using the mouse, either 
 picking or selecting, the system experiences a hard system 
 freeze and total loss of responsiveness, no blue-screen, no 
 mouse movement, no nothing.  The only recovery is a power-off 
 system reboot.  
 
 Has anyone else experienced this behavior on identical or 
 related hardware?
 And if so, has anyone found a solution? such as a particular 
 driver upgrade or downgrade?  Or on the contrary, are there 
 plenty of people out there with Radeon 9000-based PCs running 
 PyMOL just fine?
 
 Any information about experiences with Radeon 
 8500-to-9200-based cards under Windows could be helpful.  
 However, please send feedback to me directly 
 mailto:war...@delsci.com in order to avoid unnecessary 
 technical traffic on the mailing list.  I will of course 
 summarize once the situation becomes clear.
 
 Cheers,
 Warren
 --
 mailto:war...@delsci.com
 Warren L. DeLano, Ph.D.
 Principal Scientist
 DeLano Scientific LLC
 Voice (650)-346-1154 
 Fax   (650)-593-4020
  
 
 
 
 
 ---
 This SF.Net email is sponsored by: YOU BE THE JUDGE. Be one 
 of 170 Project Admins to receive an Apple iPod Mini FREE for 
 your judgement on who ports your project to Linux PPC the 
 best. Sponsored by IBM. 
 Deadline: Sept. 13. Go here: http://sf.net/ppc_contest.php 
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Re: [PyMOL] PDB to DXF

2004-09-16 Thread Gareth Stockwell
A quick Google for pdb dxf suggests that there are a couple:

http://www.okino.com/conv/imp_pdb.htm
http://www.danforthcenter.org/smith/MolView/Writeup/file.htm

... although this article
http://www.sciencemag.org/cgi/content/full/281/5384/1814a
suggests that MolView's DXF output is poor.

hth,
Gareth


On Thu, 2004-09-16 at 16:16, andRe ambrosio wrote:
 Hi,
 Is it possible to convert a .pdb in a .dxf (AUTOCAD) file? Does anyone 
 know how?
 Thanks in advance,
 
 andre ambrosio
 PhD student
 cbme/ifsc/usp - brazil
 
 
 ---
 This SF.Net email is sponsored by: YOU BE THE JUDGE. Be one of 170
 Project Admins to receive an Apple iPod Mini FREE for your judgement on
 who ports your project to Linux PPC the best. Sponsored by IBM.
 Deadline: Sept. 24. Go here: http://sf.net/ppc_contest.php
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Gareth Stockwell gar...@ebi.ac.uk
European Bioinformatics Institute




Re: [PyMOL] rgb to cmyk woes

2004-09-16 Thread Richard Ball
On Thu, 16 Sep 2004 12:23:01 +0100, Roger Dodd wrote
[snip]
 correct. Trying to subsequently convert them to cmyk format tiff 
 files in photoshop or coreldraw results in all the colors being 
 mangled (becoming duller and darker).

This may be a result of an inappropriate colour-space profile being used in PS 
and/or the wrong 
choice for the cmyk conversion profile.

It's actually a little odd that the journal expects to have files in cmyk. Most 
professional print 
houses would prefer to do the conversion from rgb to cmyk themselves so they 
can control the 
process for their printers (cmyk colour space is tied to the actual output 
device). If the journal is 
serious about demanding cmyk originals they should be more than willing to 
provide you with a 
profile for converting from an rgb space to their printing conditions 
(approximately).

Rich



[PyMOL] building pymol on sgi irix 6.2 gcc 2.95.2

2004-09-16 Thread Dr. Daniel James White PhD

Hi Warren and all,

I'm trying building pymol on sgi irix 6.2 gcc 2.95.2

(I got root access to that old sgi indigo2 extreme irix 6.2, and got a 
13W3 to VGA cable to connect it to my sony g520 monitor, and it works 
great.)


I installed gcc2.95.2,
and am building the external dependencies for pymol

but on running build.com I got an error about previous declaration of 
memchr
and sure enough there is a file on my system called 
/usr/include/string.h and line 69 has memchr


is there a way around this?


I edited build.com :

setenv SGI_ABI -n32
setenv MAKE make
setenv CXX /usr/freeware/bin/c++

are these ok?

will the hardware stereo work with pymol?

this is really all I need this machine for, good for students (unless I 
can get a new licensed version of insightII on it ... from the csc 
here in finland)


cheers

Dan




Dr. Daniel James White BSc. (Hons.) PhD
Cell Biology, Ambiotica C242
Department of biological and environmental science
PO Box  35
University of Jyväskylä
Jyväskylä FIN 40014
Finland
+358 14 260 4183 (work)
+358 468102840 (mobile)

http://www.chalkie.org.uk
d...@chalkie.org.uk
wh...@cc.jyu.fi



Re: [PyMOL] rgb to cmyk woes

2004-09-16 Thread Charles Bond
Dr Charles S. BondUniversity of Dundee   Tel: +44-1382-348325
Honorary Lecturer   Dow St, Dundee   Fax: +44-1382-345764
BBSRC David Phillips Fellow  DD1 5EH, Scotland  c.s.b...@dundee.ac.uk
School of Life Sciences  http://stein.bioch.dundee.ac.uk/~charlie

 Richard Ball r...@ellerbach.com 09/16/04 5:23 PM 
On Thu, 16 Sep 2004 12:23:01 +0100, Roger Dodd wrote
It's actually a little odd that the journal expects to have files in
cmyk.

Hi Richard,

Pretty much all of the journals I submit to prefer cmyk. In my
experience, if I submit cmyk, the final printed colours look better than
if I leave it to them.

On linux the two methods I've found for doing this are:

Imagemagick:
e.g. convert -colorspace cmyk -gamma 0.5 a.png a.tiff

The Imagemagick conversion tends to result in a fairly drab, dark image,
hence the gamma correction (try a few different values).

GIMP:
The is a cymk conversion plugin for gimp which, in my hands, does a
better job of producing a vivid cmyk tiff. The program uses the Adobe
ICC profiles. 
(see http://www.blackfiveservices.co.uk/separate.shtml)

Cheers,
Charlie