Hi Eric,
Thanks for that. I have been able to get a bit further.
To follow with my problem, I have one question more though. Basically, I
would like to know how chimera "Recognizes" metal chelation and
coordination bounds.
What I see is that when you open a pdb with a metal ion, the program
places correctly "semi bounds" corresponding to coordination
interactions. Unfortunately, I work with a series of protein structures
where metals do not adopt a typical geometries (ex: 1lwx). First, I
would like to be able to improve the number of acceptable metal
geometries, but my questions are: how does chimera recognize the right
geometry of the metal ions? Is it implemented in a python module? It is
a C++ code?
All the best,
JD