Dear ccp4bb
A structure I have recently finished has a cavity with four waters in
it. I am wondering if I might be able to fit a small molecule in the
same place. Does anyone know a way of making some type of map of this
cavity and then searching through a small molecule library to see what
might fit in it (I'm guessing there is commercial software that will
do this however I am after something without large financial
commitments!)?
Thanks,
Simon
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