Dear Youcai Zhu, See the Build Structure tool (menu: Tools... Structure Editing... Build Structure). You can click the Help button on this tool to see the help, or you can view the copy on our website: <https://rbvi.ucsf.edu/chimerax/docs/user/tools/buildstructure.html> However, you may think that it is also cumbersome for building since it is step by step with many modifications. You could try it and see whether it is any easier for you than the methods you were already using. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco
On Sep 2, 2024, at 6:27 AM, 化工化工 via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear Professor, I hope this message finds you well.
I am currently engaged in machine learning research using ChimeraX. As part of my work, I need to substitute various groups on the phosphorus atom, including methyl, tert-butyl, cyano groups, and others. However, the current substitution function does not cover many groups, so I have been manually adding them to the SEQCROW library.
At present, I am building the structures in Gaussian, which is quite cumbersome. Since I am not very familiar with ChimeraX, I am unsure whether it allows for manual molecular structure building. If such functionality is available, it would greatly assist my work.
I would greatly appreciate any guidance or suggestions you might have.
Thank you very much for your time and assistance.
Best regards, Youcai Zhu