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<http://pymolwiki.org/index.php/Alter> and
iterate<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<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
<chenzhaoh...@gmail.com<mailto:chenzhaoh...@gmail.com>> 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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