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-f...> 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