Re: [PyMOL] Other coloring strategies based on user-provided properties

Hi Chen -

As you guessed, this is commonly done by modifying the B-factor column directly.  You can do this with data available to you in PyMOL (e.g. distances, charges, and so forth) using alter<" rel="nofollow">http://pymolwiki.org/index.php/Alter> and iterate<" rel="nofollow">http://pymolwiki.org/index.php/Iterate>  and a few other related commands.  There are examples on the wiki to help as well.

For other types of information, you can modify the B-factor column values directly in a text editor or other program.

In either case, your last step will likely include the spectrum<" rel="nofollow">http://pymolwiki.org/index.php/Spectrum> command.

Good luck!

Cheers,
Jared

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






On Aug 29, 2014, at 12:25 PM, Chen Zhao <che...@GM...<mailto:che...@GM...>> wrote:

Dear all,

I am thinking whether it is possible to color a molecule by a specific property residue-wise or atom-wise like generally be done on B-factor? This property could be provided as numbers in a column. An obvious way might just be to change the B-factor column to the user-provided column and "color by B-factor". But I am wondering whether there are some direct ways of doing this.

Best,
Chen
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