Hi Claudia,
ChimeraX doesn't yet have reading an attribute assignment file.
However, you can create and assign custom attributes using the "setattr" command. You could reformat your chemical shift data into a ChimeraX command file (a text file of ChimeraX commands, with filename something.cxc) where each value is assigned in a "setattr"
command, and then simply open that file in ChimeraX to execute all the commands.
<
http://rbvi.ucsf.edu/chimerax/docs/user/commands/setattr.html>
<
http://rbvi.ucsf.edu/chimerax/docs/user/commands/usageconventions.html#cxc-files>
Here is an example .cxc file that creates/assigns an attribute named "kdh" with values assigned per amino acid residue type:
<
http://rbvi.ucsf.edu/chimerax/docs/user/kyte-doolittle_hydrophobicity.cxc>
... for example, one command in that file is
setattr :asp res kdh -3.5 create t
Instead of specifying residues by name like :asp you could specify by residue number, optionally including chain if you have more than one chain, e.g.
setattr /A:201 res csp 0.022 create t
... repeating for all the residues to which you want to assign values. ( I assumed this is a residue attribute. You could alternatively create a per-atom attribute, see setattr manual page.)
Then you can use ChimeraX command "color byattribute" to do the coloring.
<
http://rbvi.ucsf.edu/chimerax/docs/user/commands/color.html#byattribute>
However, ChimeraX does not yet have a color key. You could get fancy by making a color key in Chimera and then combining it with the image from ChimeraX as discussed in this previous post.
<
http://www.rbvi.ucsf.edu/pipermail/chimerax-users/2019-March/000452.html>
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Mar 24, 2020, at 1:12 PM, Bohg, Claudia <Bohg@fmp-berlin.de> wrote:
>
> Hey,
> is it somehow possible to use this attribute in Chimera X?
>
>
http://www.cgl.ucsf.edu/chimera/data/nmrcolor-nov2017/nmrcolor.html
>
> Best,
> Claudia