Re: [PyMOL] raytracing a transparant surface, with reflections only on the cofactors inside

2015-01-09 Thread Tsjerk Wassenaar
Hi Floris,

I'm not entirely sure whether these are object/selection or global
properties. But have you tried specifying the selection?

set spec_reflect, 0, protein

Haven't tried it myself, though.

Cheers,

Tsjerk
On Jan 9, 2015 4:07 PM, Floris van Eerden f.j.van.eer...@rug.nl wrote:

 Dear all,

 My question is if I can set for different molecules in my system, how much
 they reflect light during ray-tracing

 My current system is a protein which contains some cofactors.
 The cofactors are coloured according to their B value and the protein is
 shown as a transparant grey surface.
 When I start Ray-tracing, I get a quite nice picture. The problem is
 however that the transparant surface is reflecting the light, and becomes
 therefore at some places not transparant, which makes it kinda difficult to
 see the cofactors in the protein (which are the most important). I played
 around with all the spec_reflect, spec_direct settings. When I set
 spec_reflect to 0, there are no reflections anymore, but the image becomes
 rather dull.
 I was wondering if it is possible to select somehow to make only the
 cofactors inside the protein reflect the light, but not the protein
 surface. In VMD you can do this for example by making molecules from
 different ‘materials’, e.g. you can make your cofactors from a reflective
 material, and your protein surface from a non reflective, transparant
 material. Is something similar possible in Pymol???

 Thanks for your suggestions,

 Floris

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Re: [PyMOL] raytracing a transparant surface, with reflections only on the cofactors inside

2015-01-09 Thread Sampson, Jared
Hi Floris -

Tsjerk is correct.  You can set spec_reflect for a selection. Something like:

set spec_reflect, 0, all and not organic

This would turn of specular reflection on anything that’s not a “ligand” atom.

Cheers,
Jared

--
Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
http://kong.med.nyu.edu/



On Jan 9, 2015, at 10:42 AM, Tsjerk Wassenaar 
tsje...@gmail.commailto:tsje...@gmail.com wrote:


Hi Floris,

I'm not entirely sure whether these are object/selection or global properties. 
But have you tried specifying the selection?

set spec_reflect, 0, protein

Haven't tried it myself, though.

Cheers,

Tsjerk

On Jan 9, 2015 4:07 PM, Floris van Eerden 
f.j.van.eer...@rug.nlmailto:f.j.van.eer...@rug.nl wrote:
Dear all,

My question is if I can set for different molecules in my system, how much they 
reflect light during ray-tracing

My current system is a protein which contains some cofactors.
The cofactors are coloured according to their B value and the protein is shown 
as a transparant grey surface.
When I start Ray-tracing, I get a quite nice picture. The problem is however 
that the transparant surface is reflecting the light, and becomes therefore at 
some places not transparant, which makes it kinda difficult to see the 
cofactors in the protein (which are the most important). I played around with 
all the spec_reflect, spec_direct settings. When I set spec_reflect to 0, there 
are no reflections anymore, but the image becomes rather dull.
I was wondering if it is possible to select somehow to make only the cofactors 
inside the protein reflect the light, but not the protein surface. In VMD you 
can do this for example by making molecules from different ‘materials’, e.g. 
you can make your cofactors from a reflective material, and your protein 
surface from a non reflective, transparant material. Is something similar 
possible in Pymol???

Thanks for your suggestions,

Floris
--
Dive into the World of Parallel Programming! The Go Parallel Website,
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hub for all things parallel software development, from weekly thought
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look and join the conversation now. 
http://goparallel.sourceforge.nethttp://goparallel.sourceforge.net/
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[PyMOL] exporting maps

2015-01-09 Thread Daniel Larsson
I have created a pseudo-low resolution electron density map from a PDB-file 
using the map_new command. Is it possible to export or save that map to a file? 
Any format should be fine.

Daniel
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[PyMOL] raytracing a transparant surface, with reflections only on the cofactors inside

2015-01-09 Thread Floris van Eerden
Dear all,

My question is if I can set for different molecules in my system, how much they 
reflect light during ray-tracing

My current system is a protein which contains some cofactors.
The cofactors are coloured according to their B value and the protein is shown 
as a transparant grey surface.
When I start Ray-tracing, I get a quite nice picture. The problem is however 
that the transparant surface is reflecting the light, and becomes therefore at 
some places not transparant, which makes it kinda difficult to see the 
cofactors in the protein (which are the most important). I played around with 
all the spec_reflect, spec_direct settings. When I set spec_reflect to 0, there 
are no reflections anymore, but the image becomes rather dull.
I was wondering if it is possible to select somehow to make only the cofactors 
inside the protein reflect the light, but not the protein surface. In VMD you 
can do this for example by making molecules from different ‘materials’, e.g. 
you can make your cofactors from a reflective material, and your protein 
surface from a non reflective, transparant material. Is something similar 
possible in Pymol???

Thanks for your suggestions,

Floris
--
Dive into the World of Parallel Programming! The Go Parallel Website,
sponsored by Intel and developed in partnership with Slashdot Media, is your
hub for all things parallel software development, from weekly thought
leadership blogs to news, videos, case studies, tutorials and more. Take a
look and join the conversation now. http://goparallel.sourceforge.net
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