Re: [PyMOL] 答复: gradually changed colors with flexibility

2013-12-10 Thread Thomas Holder
Hi Yeping,

the spectrum command has a byres argument to operate on the residue level:

PyMOLspectrum b, blue_white_red, byres=1

There is no white_blue color ramp, but there is a script which provides this:
http://pymolwiki.org/index.php/Spectrumany
It doesn't have the byres argument. If you only show cartoon, just limit the 
selection to CA atoms:

PyMOLrun path/to/spectrumany.py
PyMOLspectrumany b, white blue, name CA

If you want to show all atoms, you can map the CA atom b-factor to all residue 
atoms with this script:
http://pymolwiki.org/index.php/AlphaToAll

Hope that helps.

Cheers,
  Thomas

On 10 Dec 2013, at 01:04, sunyeping sunyep...@aliyun.com wrote:

 Hi, professor Holder,
 
 Thank you for the reply, but how can I do this on the level of individual 
 amino acids in stead of atom? I have two homolog stuctures and I want to map 
 the difference between the b factors of the corresonding residues of these 
 two stuctures rather than individual atoms. And I want to use gradually 
 deepened color from white to blue. Could you explain more in detail? Thanks.  
 
 Yeping Sun
 
 Institute of Microbiology, Chinese Academy of Sciences
 
 
 --
 发件人:Thomas Holder spel...@users.sourceforge.net
 发送时间:2013年12月10日(星期二) 04:50
 收件人:孙业平 sunyep...@aliyun.com
 抄 送:pymol-users pymol-users@lists.sourceforge.net
 主 题:Re: [PyMOL] gradually changed colors with flexibility
 
 Hi Yeping,
 
 use the spectrum command:
 
 PyMOL spectrum b, blue_white_red
 
 http://pymolwiki.org/index.php/Spectrum
 
 Cheers,
 Thomas
 
 On 09 Dec 2013, at 11:30, sunyeping sunyep...@aliyun.com wrote:
 
  Dear all,
  
  I want to show amino acids in a structure according to their flexibility (B 
  factor) by gradually changed colors. Can pymol do this? Thanks.
  
  Yeping Sun
  
  Institute of Microbiology, Chinese Academy of Sciences

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[PyMOL] 答复: gradually changed colors with flexibility

2013-12-09 Thread sunyeping
Hi, professor Holder,Thank you for the reply, but how can I do this on the 
level of individual amino acids in stead of atom? I have two homolog stuctures 
and I want to map the difference between the b factors of the corresonding 
residues of these two stuctures rather than individual atoms. And I want to use 
gradually deepened color from white to blue. Could you explain more in detail? 
Thanks.  
Yeping Sun
Institute of Microbiology, Chinese Academy of Sciences
--
发件人:Thomas Holder spel...@users.sourceforge.net
发送时间:2013年12月10日(星期二) 04:50
收件人:孙业平 sunyep...@aliyun.com
抄 送:pymol-users pymol-users@lists.sourceforge.net
主 题:Re: [PyMOL] gradually changed colors with flexibility

Hi Yeping,

use the spectrum command:

PyMOL spectrum b, blue_white_red

http://pymolwiki.org/index.php/Spectrum

Cheers,
  Thomas

On 09 Dec 2013, at 11:30, sunyeping sunyep...@aliyun.com wrote:

 Dear all,
 
 I want to show amino acids in a structure according to their flexibility (B 
 factor) by gradually changed colors. Can pymol do this? Thanks.
 
 Yeping Sun
 
 Institute of Microbiology, Chinese Academy of Sciences

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