[Chimera-users] Coordinate bond problem

Xelha ap xelha_28 at hotmail.com
Thu Aug 13 10:21:22 PDT 2020


Hi!
I have had problems minimizing the structure of a molecule that contais cordination bonds. Chimera does not recognizes the bond.
The structure is a BODIPY, and its characteristics is the coordination bond between Boron atom and one nitrogen.
Can you help me to minimize mi structure? is there in chimera any option to select coordination bonds?
When i tried to minimize it, i selected that the boron atom is tetrahedral and  subtituents but, with the following conditions to select dis not work for me.
I get "Failure running ANTECHAMBER for residue UNKCheck reply log for details". I have been changed the next selections and I get the same answer.

Can you help me please?



M. en C. Xelha Araujo Padilla
Estudiante de Doctorado del Programa de Biomedicina y Biotecnología Molecular
Lab. de Citopatologia Ambiental, Depto. de Morfología,
Escuela Nacional de Ciencias Biológicas-IPN, Zacatenco. Ciudad de México
Tel. +52(55) 57296300 Ext. 52399.
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