Dear Jacob Keller,
As you say, there is a number of methods used to assign, as correctly as
possible, ions and water molecules:
depending of everything you know about the purification protocol of
the molecule (every ions and compound which could have been seen by the
target protein),
Hello Rhys Grinter, hello to the ccp4bb community,
I don't necessarily want to advertise here one of the major research
topic of Eric Girard and late Richard Kahn lab (my previous lab ;-) ) but...
You could maybe try lanthanide complexes ?
They are composed by a chemical ligand, which can
Hello to the CCP4 bulletin board community,
I would like to know if I could find a tool to automatically assign
HETATM atom (or even, water molecules) to the nearest protein chain ?
In my case, I have 4 protein chains in the asymmetric unit : A, B, C and
D. I would like to assign each ions
