[phenixbb] phenix.ligandfit, specifiy already generated cif file

[Guenter Fritz]

Dear all,

I would like to run phenix.ligandfit with a cif file I have already 
generated with acedrg or grade.

This is not really required, just for comparison reasons. Would be nice.

There is the parameter

cif_already_generated= False / True

But how do I define the cif file?

Many thanks and best regards!

Guenter


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