Re: [PyMOL] Font problem

2014-03-12 Thread Justin Lecher
On 11/03/14 07:52, Justin Lecher wrote:
> On 10/03/14 21:52, Thomas Holder wrote:
>> Hi Justin,
>>
>> this is fixed in SVN rev 4070, sorry that it took so long.
>>
>> Cheers,
>>   Thomas
>>
> 
> Hi Thomas,
> 
> Thanks a bunch. I will try it out tomorrow on my 3D machine.
> 
> Cheers,
> Justin
> 


Looks beautiful now. Thanks a lot Thomas,
Justin

-- 
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117




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[PyMOL] ALPHA cgo causes COLOR to be ignored

2014-03-12 Thread Lukáš Pravda
Dear PyMOL users,

 

I'm wondering about coloring CGO objects in PyMOL. In the recent version
1.7. If ALPHA is specified for a cgo object, all the colors are neglected.
In version 1.6 and previous everything works just fine. Is this a bug, an
intension or am I missing a point somewhere? Let's take a following piece of
code. It provides correct colorful triangle, only in the case 'ALPHA' line
is omitted for version of PyMOL 1.7+ (I'm running Windows).

 

data = [

  BEGIN,TRIANGLES,

  ALPHA,1.0,

  COLOR,1.00,0.30,0.30,

  NORMAL,-0.997,-0.057,-0.051,

  VERTEX,52.083,62.446,50.739,

  COLOR,0.6,0.60,0.10,

  NORMAL,-0.999,-0.009,-0.044,

  VERTEX,52.048,63.219,50.739,

  COLOR,1.000,0.567,0.567,

  NORMAL,-0.998,-0.059,0.024,

  VERTEX,52.076,62.446,51.498,

  COLOR,0.600,0.2,0.2,

  END

]

cmd.load_cgo(data,'triangle')

 

Thank you for your answer

 

Lukas

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Re: [PyMOL] ALPHA cgo causes COLOR to be ignored

2014-03-12 Thread Thomas Holder
Hi Lukas,

this was a bug which is fixed in SVN revision 4072.

Cheers,
  Thomas

On 12 Mar 2014, at 05:07, Lukáš Pravda  wrote:
> Dear PyMOL users,
>  
> I’m wondering about coloring CGO objects in PyMOL. In the recent version 1.7. 
> If ALPHA is specified for a cgo object, all the colors are neglected. In 
> version 1.6 and previous everything works just fine. Is this a bug, an 
> intension or am I missing a point somewhere? Let’s take a following piece of 
> code. It provides correct colorful triangle, only in the case ‘ALPHA’ line is 
> omitted for version of PyMOL 1.7+ (I’m running Windows).
>  
> data = [
>   BEGIN,TRIANGLES,
>   ALPHA,1.0,
>   COLOR,1.00,0.30,0.30,
>   NORMAL,-0.997,-0.057,-0.051,
>   VERTEX,52.083,62.446,50.739,
>   COLOR,0.6,0.60,0.10,
>   NORMAL,-0.999,-0.009,-0.044,
>   VERTEX,52.048,63.219,50.739,
>   COLOR,1.000,0.567,0.567,
>   NORMAL,-0.998,-0.059,0.024,
>   VERTEX,52.076,62.446,51.498,
>   COLOR,0.600,0.2,0.2,
>   END
> ]
> cmd.load_cgo(data,'triangle')
>  
> Thank you for your answer
>  
> Lukas

-- 
Thomas Holder
PyMOL Developer
Schrödinger, Inc.


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[PyMOL] Volume API and panel improvements

2014-03-12 Thread Thomas Holder
Dear all,

I like to announce some significant changes to the volume user interface and 
API, as of SVN revision 4072. This is considered a beta feature and we welcome 
any kind of feedback.

Changes include:
 * new commands: volume_color, volume_ramp_new
 * volume presets
 * custom volume ramps/presets
 * resizable volume panel
 * real-time volume update while dragging color dots in the panel
 * any click operation in the panel operates on three color dots if
   holding CTRL (adding, deleting, dragging, changing color), this
   is useful for isosurface-like peaks.

Volume rendering requires OpenGL Shaders, and the more powerful your hardware, 
the better your volume experience will be.

The changes affect PyMOL session files, volumes which are saved with this new 
version will not load in older versions of PyMOL.

This also breaks scripts which use the old non-official API to create volumes. 
However, these should be easy to migrate.

Cheers,
  Thomas

-- 
Thomas Holder
PyMOL Developer
Schrödinger, Inc.


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[PyMOL] color each polymer chain differently

2014-03-12 Thread Chandan Choudhury
Dear PyMOL users,

I build 100 chains of polymer in a box. Residue number is different for
every chain. Chain 1 has residue no. 1, chain 2 has residue no. 2 and so
on. I want to color each chain differently.
So, I wrote a script which generates a pml file, and opening this pml file
with PyMOL should color each chain differently.

##color.pml
load 128md_c.pdb
select 1, i. 1
color  1, i. 1
select 2, i. 2
color  2, i. 2
select 3, i. 3
color  3, i. 3
select 4, i. 4
color  4, i. 4
select 5, i. 5
color  5, i. 5
select 6, i. 6
color  6, i. 6
select 7, i. 7
...
...
color  125, i. 125
select 126, i. 126
color  126, i. 126
select 127, i. 127
color  127, i. 127
select 128, i. 128
color  128, i. 128

I have 128 chains.

What I find that mostly green or black dominates the coloring.
While displaying color by the numeric code, what is the maximum no, after
which the color repeats?

Chandan

--
Chandan Kumar Choudhury
National Chemical Laboratory, Pune
India
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Re: [PyMOL] color each polymer chain differently

2014-03-12 Thread Jordan Willis
I think...

What is happening is that the color command should take in a name like “color 
yellow, i. 1" or a CMYK color vector. When you are saying “color 1” it is just 
starting at the first index of CMYK which is black.

There is a command for your problem though. Just say util.color_chains() and it 
will color all individual chains a different color. 



On Mar 12, 2014, at 11:15 PM, Chandan Choudhury  wrote:

> 
> Dear PyMOL users,
> 
> I build 100 chains of polymer in a box. Residue number is different for every 
> chain. Chain 1 has residue no. 1, chain 2 has residue no. 2 and so on. I want 
> to color each chain differently.
> So, I wrote a script which generates a pml file, and opening this pml file 
> with PyMOL should color each chain differently.
> 
> ##color.pml
> load 128md_c.pdb
> select 1, i. 1
> color  1, i. 1
> select 2, i. 2
> color  2, i. 2
> select 3, i. 3
> color  3, i. 3
> select 4, i. 4
> color  4, i. 4
> select 5, i. 5
> color  5, i. 5
> select 6, i. 6
> color  6, i. 6
> select 7, i. 7
> ...
> ...
> color  125, i. 125
> select 126, i. 126
> color  126, i. 126
> select 127, i. 127
> color  127, i. 127
> select 128, i. 128
> color  128, i. 128
> 
> I have 128 chains.
> 
> What I find that mostly green or black dominates the coloring. 
> While displaying color by the numeric code, what is the maximum no, after 
> which the color repeats?
> 
> Chandan
> 
> --
> Chandan Kumar Choudhury
> National Chemical Laboratory, Pune
> India
> 
> --
> Learn Graph Databases - Download FREE O'Reilly Book
> "Graph Databases" is the definitive new guide to graph databases and their
> applications. Written by three acclaimed leaders in the field,
> this first edition is now available. Download your free book today!
> http://p.sf.net/sfu/13534_NeoTech___
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