Thank you Jared,
Then probably I will just modify the PDB file directly.
Best,
Chen
On Fri, Aug 29, 2014 at 12:56 PM, Sampson, Jared <jared.samp...@nyumc.org>
wrote:
> 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> 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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