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

2015-01-15 Thread Floris van Eerden

Hello

thanks for all your help!
I managed to fix the issue with the ray_transparency_contrast setting.

@Tsjerk Thanks for your help. But this afternoon I have to teach. Maybe 
some other day?


Floris

On 14-01-15 20:38, Sampson, Jared wrote:
Thanks for the correction, Thomas.  I saw the following in the 
terminal window and thought it meant the setting was applied as I 
intended:


PyMOLset spec_reflect, 0, all and not org
 Setting: spec_reflect set for 2105 atoms in object 1shv.
PyMOLset spec_reflect, 1, org
 Setting: spec_reflect set for 35 atoms in object “1shv”.

(You’d think I’d know better after having worked with lighting in my 
COLLADA export project...)


Perhaps it would be helpful for cmd.set() to output some kind of 
warning if a selection argument is given, but the setting can only be 
applied globally?


Cheers,
Jared

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






On Jan 14, 2015, at 1:18 PM, Tsjerk Wassenaar tsje...@gmail.com 
mailto:tsje...@gmail.com wrote:



Hi Thomas,

Thanks for chiming in. I guess this would be a step towards 
textures/finishes. I would really like to see more extended support 
for those in Pymol. Of course that would mostly serve artistic 
purposes, but I'd gladly raise the suggestion that it can do wonders 
for highlighting :)


Floris, I can join you in the lab tomorrow afternoon (~15pm?), and we 
can have a look what we can do. Maybe a POV-Ray session, like in the 
old days :) Maybe I can even find my finish settings somewhere :)


Cheers,

Tsjerk

On Wed, Jan 14, 2015 at 7:03 PM, Thomas Holder 
thomas.hol...@schrodinger.com 
mailto:thomas.hol...@schrodinger.com wrote:


Hi Floris, Tsjerk, Jared,

all lighting settings in PyMOL are only global, so setting them
on objects or selections will have no effect. This is not a bug,
bug of course can be considered a missing feature. We will check
how difficult this would be to implement on the object or atom level.

Cheers,
  Thomas

On 14 Jan 2015, at 12:07, Floris van Eerden
f.j.van.eer...@rug.nl mailto:f.j.van.eer...@rug.nl wrote:

 Hello Jared and Tsjerk,

 I tried your suggestion, but unfortunately it does not work on
my computer.
 When I type the command
 set spec_reflect, 0, all
 Pymol gives the following output:
 --Setting: spec_reflect set to 0.0 in 8 objects.

 So it seems okay. But however when I raytrace, I still get all
reflections.
 When I subsequently type
 set spec_reflect, 0
 and then raytrace, the reflections are really turned off.

 Could this be a bug, or do I forget something?

 Thanks

 Floris

 On 09-01-15 16:55, Sampson, Jared wrote:
 set spec_reflect, 0, all and not organic

--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.



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

2015-01-14 Thread Sampson, Jared
Thanks for the correction, Thomas.  I saw the following in the terminal window 
and thought it meant the setting was applied as I intended:

PyMOLset spec_reflect, 0, all and not org
 Setting: spec_reflect set for 2105 atoms in object 1shv.
PyMOLset spec_reflect, 1, org
 Setting: spec_reflect set for 35 atoms in object “1shv”.

(You’d think I’d know better after having worked with lighting in my COLLADA 
export project...)

Perhaps it would be helpful for cmd.set() to output some kind of warning if a 
selection argument is given, but the setting can only be applied globally?

Cheers,
Jared

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






On Jan 14, 2015, at 1:18 PM, Tsjerk Wassenaar 
tsje...@gmail.commailto:tsje...@gmail.com wrote:

Hi Thomas,

Thanks for chiming in. I guess this would be a step towards textures/finishes. 
I would really like to see more extended support for those in Pymol. Of course 
that would mostly serve artistic purposes, but I'd gladly raise the suggestion 
that it can do wonders for highlighting :)

Floris, I can join you in the lab tomorrow afternoon (~15pm?), and we can have 
a look what we can do. Maybe a POV-Ray session, like in the old days :) Maybe I 
can even find my finish settings somewhere :)

Cheers,

Tsjerk

On Wed, Jan 14, 2015 at 7:03 PM, Thomas Holder 
thomas.hol...@schrodinger.commailto:thomas.hol...@schrodinger.com wrote:
Hi Floris, Tsjerk, Jared,

all lighting settings in PyMOL are only global, so setting them on objects or 
selections will have no effect. This is not a bug, bug of course can be 
considered a missing feature. We will check how difficult this would be to 
implement on the object or atom level.

Cheers,
  Thomas

On 14 Jan 2015, at 12:07, Floris van Eerden 
f.j.van.eer...@rug.nlmailto:f.j.van.eer...@rug.nl wrote:

 Hello Jared and Tsjerk,

 I tried your suggestion, but unfortunately it does not work on my computer.
 When I type the command
 set spec_reflect, 0, all
 Pymol gives the following output:
 --Setting: spec_reflect set to 0.0 in 8 objects.

 So it seems okay. But however when I raytrace, I still get all reflections.
 When I subsequently type
 set spec_reflect, 0
 and then raytrace, the reflections are really turned off.

 Could this be a bug, or do I forget something?

 Thanks

 Floris

 On 09-01-15 16:55, Sampson, Jared wrote:
 set spec_reflect, 0, all and not organic

--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.


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

2015-01-14 Thread Thomas Holder
Hi Floris, Tsjerk, Jared,

all lighting settings in PyMOL are only global, so setting them on objects or 
selections will have no effect. This is not a bug, bug of course can be 
considered a missing feature. We will check how difficult this would be to 
implement on the object or atom level.

Cheers,
  Thomas

On 14 Jan 2015, at 12:07, Floris van Eerden f.j.van.eer...@rug.nl wrote:

 Hello Jared and Tsjerk,
 
 I tried your suggestion, but unfortunately it does not work on my computer.
 When I type the command
 set spec_reflect, 0, all
 Pymol gives the following output:
 --Setting: spec_reflect set to 0.0 in 8 objects.
 
 So it seems okay. But however when I raytrace, I still get all reflections.
 When I subsequently type
 set spec_reflect, 0
 and then raytrace, the reflections are really turned off.
 
 Could this be a bug, or do I forget something?
 
 Thanks
 
 Floris
 
 On 09-01-15 16:55, Sampson, Jared wrote:
 set spec_reflect, 0, all and not organic

-- 
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.


--
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GigeNET is offering a free month of service with a new server in Ashburn.
Choose from 2 high performing configs, both with 100TB of bandwidth.
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Re: [PyMOL] raytracing a transparant surface, with reflections only on the cofactors inside

2015-01-14 Thread Floris van Eerden
Hello Jared and Tsjerk,

I tried your suggestion, but unfortunately it does not work on my computer.
When I type the command
set spec_reflect, 0, all
Pymol gives the following output:
--Setting: spec_reflect set to 0.0 in 8 objects.

So it seems okay. But however when I raytrace, I still get all reflections.
When I subsequently type
set spec_reflect, 0
and then raytrace, the reflections are really turned off.

Could this be a bug, or do I forget something?

Thanks

Floris


On 09-01-15 16:55, Sampson, Jared wrote:
 set spec_reflect, 0, all and not organic


--
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GigeNET is offering a free month of service with a new server in Ashburn.
Choose from 2 high performing configs, both with 100TB of bandwidth.
Higher redundancy.Lower latency.Increased capacity.Completely compliant.
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Re: [PyMOL] raytracing a transparant surface, with reflections only on the cofactors inside

2015-01-14 Thread Tsjerk Wassenaar
Hi Thomas,

Thanks for chiming in. I guess this would be a step towards
textures/finishes. I would really like to see more extended support for
those in Pymol. Of course that would mostly serve artistic purposes, but
I'd gladly raise the suggestion that it can do wonders for highlighting :)

Floris, I can join you in the lab tomorrow afternoon (~15pm?), and we can
have a look what we can do. Maybe a POV-Ray session, like in the old days
:) Maybe I can even find my finish settings somewhere :)

Cheers,

Tsjerk

On Wed, Jan 14, 2015 at 7:03 PM, Thomas Holder 
thomas.hol...@schrodinger.com wrote:

 Hi Floris, Tsjerk, Jared,

 all lighting settings in PyMOL are only global, so setting them on objects
 or selections will have no effect. This is not a bug, bug of course can be
 considered a missing feature. We will check how difficult this would be to
 implement on the object or atom level.

 Cheers,
   Thomas

 On 14 Jan 2015, at 12:07, Floris van Eerden f.j.van.eer...@rug.nl wrote:

  Hello Jared and Tsjerk,
 
  I tried your suggestion, but unfortunately it does not work on my
 computer.
  When I type the command
  set spec_reflect, 0, all
  Pymol gives the following output:
  --Setting: spec_reflect set to 0.0 in 8 objects.
 
  So it seems okay. But however when I raytrace, I still get all
 reflections.
  When I subsequently type
  set spec_reflect, 0
  and then raytrace, the reflections are really turned off.
 
  Could this be a bug, or do I forget something?
 
  Thanks
 
  Floris
 
  On 09-01-15 16:55, Sampson, Jared wrote:
  set spec_reflect, 0, all and not organic

 --
 Thomas Holder
 PyMOL Principal Developer
 Schrödinger, Inc.



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

2015-01-12 Thread Floris van Eerden

Hello Jared,

thanks for the conformation!!!
I am going to try it out today!

Floris
On 09-01-15 16:55, Sampson, Jared wrote:

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.com 
mailto: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.nl 
mailto: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 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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 sponsored by Intel and developed in partnership with Slashdot Media, is
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 hub for all things parallel software development, from weekly thought
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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
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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
--
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sponsored by Intel and developed in partnership with Slashdot Media, is your
hub for all things parallel software development, from weekly thought
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