Hi Siyoung, Well, we do have a tentative plan for implementation, but it's competing with many other implementation priorities so it's still pretty much in the don't-hold-your-breath category. I will add you to the ticket we have open for its implementation, so you will be notified if/when something happens. --Eric Eric Pettersen UCSF Computer Graphics Lab
On Feb 3, 2025, at 2:50 PM, kkssy141--- via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi Eric,
I realize this is an old thread, but I have the same request as Chase. While I understand your hesitation in implementing bond orders to some extent, omitting them can lead to information loss in certain cases. For example, ligand files in SDF format require bond order data, but when loaded into ChimeraX, this information is missing.
Would you consider displaying double and triple bonds when structure files explicitly include this information, such as in SDF, DMS, or MAE formats? If this is not feasible, could the Bond object at least retain bond order information? This would be particularly useful when writing a new SDF file, as missing bond order data could be problematic (perhaps this is one reason why SDF file writing isn't currently supported?).
The only visualization software I’m aware of that properly handles bond order information is PyMOL. You might find useful implementation ideas there.
Thank you! Best, Siyoung _______________________________________________ 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/