Hi Prathvi, Assuming the structures were opened from mmCIF files, then the following code would write the structure names and resolutions to a file named 'resolutions.txt' on your Desktop: from chimerax.atomic import all_atomic_structures from chimerax.mmcif.mmcif import resolution from os.path import expanduser with open(expanduser("~/Desktop/resolutions.txt"), "wt") as f: for s in all_atomic_structures(session): res_info = resolution(s) if res_info is None: res_info = "no resolution info" print(f"{s.name} {res_info}", file=f) I've attached the above as a file named res.py. You run the code just by opening the file with the "open" command or the File→Open dialog. You could also extract resolution info from a PDB, but that's a lot more complicated because there's no convenient "resolution" routine to use; you have to root around in various header records to get the resolution value. You can see code that does that here: https://github.com/RBVI/ChimeraX/blob/develop/src/bundles/pdb/src/pdb.py <https://github.com/RBVI/ChimeraX/blob/develop/src/bundles/pdb/src/pdb.py> (lines 639-674). --Eric Eric Pettersen UCSF Computer Graphics Lab
On Aug 22, 2023, at 12:21 AM, Prathvi Singh via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
Hi Elaine,
Is there a way to save the resolution of a protein structure to a file using command line, either in chimeraX or chimera?
Thanks
-- Prathvi Singh, Research Fellow, Department of Biological Sciences & Bioengineering, Indian Institute of Technology, Kanpur-208016 _______________________________________________ Chimera-users mailing list -- chimera-users@cgl.ucsf.edu To unsubscribe send an email to chimera-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimera-users@cgl.ucsf.edu/