Sorry, right now, the only, non-programming, way to preserve custom attributes is to save a ChimeraX session. When you restore a session, you can use either (A) the "Render/Select by Attribute" dialog to see that all of the alignt_rmsd values are 5, or (B) the "info atoms attr align_rmsd" command to see what the values are. But I find your idea intriguing. The ChimeraX mmCIF code is optimized for a subset of the information in a mmCIF file. Adding support for custom attributes for both writing and reading would require some work. For writing, there needs to be a way to choose which custom attributes to write. And it would be useful to know what precision the floating point numbers should be written with. For reading, a ChimeraX specific table that listed the custom attribute information would be needed. I can envision wanting some of ChimeraX's built-in custom attributes in the mmCIF output. I'll create a ticket for this. -- Greg On 3/30/2025 12:20 PM, Javier via ChimeraX-users wrote:
Hello!
I am trying to create a new attribute in a cif file called align_rmsd. For the example, assume I want all atoms to have this attribute equal to 5. For this, I am opening the file in ChimeraX and applying the following command: setattr atoms align_rmsd 5.0 create true type float With the following result: Assigning align_rmsd attribute to 145 items
However, when I do "save new.cif" I don't see any new attribute in the loop _atom_site.align_rmsd nor any value equal to 5. How can I store this values in a new cif file so that I see the values equal to 5?
Thank you in advance! Javier _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/