On Aug 31, 2021, at 1:50 PM, Liu, Xiangan Xiangan.Liu@uth.tmc.edu wrote:
Hi, I have issue to output the models I build in pdb formation to mmCIF formation. I did not provide the sequences in orginal pdb files. Could please let me know what is the problem and how to fix it? Thanks, Xiangan
File "/usr/lib/ucsf-chimerax/lib/python3.8/site-packages/chimerax/mmcif/__init__.py", line 89, in save mmcif_write.write_mmcif(session, path, **kw) File "src/mmcif_write.pyx", line 145, in chimerax.mmcif.mmcif_write.write_mmcif File "src/mmcif_write.pyx", line 149, in chimerax.mmcif.mmcif_write.write_mmcif File "src/mmcif_write.pyx", line 542, in chimerax.mmcif.mmcif_write.save_structure KeyError: ('a1', 'RPGMMDSQEFS')
KeyError: ('a1', 'RPGMMDSQEFS')
File "src/mmcif_write.pyx", line 542, in chimerax.mmcif.mmcif_write.save_structure
Hi Xiangan, We recommend using the chimerax-users@cgl.ucsf.edu address for questions (CC'd on this message, so you don't need to do anything this time). The address you used is just for commercial licensing.
Actually, if you get a traceback like this, you can usually use ChimeraX menu: Help... Report a Bug instead of sending e-mail. You may need to attach your session file so that we can reproduce the problem.
I don't know the answer, so I'm using this address to share your question with the others. Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco