Hi Steffen, The answer is sort of. :-) If the file is a an mmCIF file from the PDB, then the chirality information will be present in the file. If you selected atoms of interest, then running this Python code would print the chirality information in the log: from chimerax.atomic import selected_atoms for a in selected_atoms(session): print(a, a.residue.ideal_chirality(a.name)) For convenience, I have put the above code into the attached file, which if you put the file in your home folder you could then run with "open ~/chirality.py". --Eric Eric Pettersen UCSF Computer Graphics Lab
On Jul 26, 2023, at 6:11 AM, Steffen Thomas via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello,
I am looking for a way to determine the chirality of stereocenters. In Chimera this was possible with the command chirality. Is there such a tool possibly also for ChimeraX?
Many Thanks
Steffen
Since I see a relatively high Frequemz of contributions on the mailing list, have you thought about setting up a Discord channel or similar?
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