[Chimera-users] Problems detecting h-bonds

Felipe Vasquez anfelvas at gmail.com
Fri Oct 2 07:49:23 PDT 2015


Hi,

I have recently obtained some docking results (I have a complex) and I am
trying to detect any protein-ligand h-bonds. Soon, I faced a first problem
when I obtain this error message: "More than 2 coplanar positions
specified!", and I think I solved it once my ligand was selected and I
enter into the command line: "setattr a idatmType sel". However, I obtained
later an entire panel (with a big list in it) asking me to indicate the
expetd geometries and number of substituents for a large list of atoms,
from both ligand and protein. How could I overcome this issue knowing that
there is several expected h-bonds to be detected in my complex?

Thanks in advance for your help.

Best regards,


*Andrés Felipe Vásquez J., BSc, MSc.*
Profesional - Grupo de Fisiología Molecular
Subdirección de Investigación Científica y Tecnológica
Dirección de Investigación en Salud Pública
Instituto Nacional de Salud
Avenida calle 26 No. 51-20 - Zona 6 CAN
Bogotá, D.C., Colombia
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