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Hi,
A clarification to my question about using COOT's ligand library:
I do not know what the ligand is. All I see is some density near the
proposed ligand binding site.
What I would like to do is to read in some kind of library with ligands
and then try to fit them into the density one at a time to see how they
fit and to try to deduce what the ligand may be. I was hoping to do this
by reading in the COOT library and trying out the ligands one by one.
Also, I'm not quite sure how to use the COOT library. It asks for a 3
letter code for a desired ligand to be read in and I can find no list of
3 letter codes for all the ligands it may have in its library, so even
if I wanted to try out a particular ligand based on known molecular
properties of the protein or purification/crystallization conditions, I
would not know its particular 3 letter code and hence cannot read it in.
Any help will be much appreciated.
Thanks in advance.
Debanu.
