Hi CCP4ers,
I am looking for some advice on electrostatic maps of small molecules.
What is the best program for this?
Is there anyway I can calculate the desolvation energy at the same time?
I have tried to create a PQR file for APBS (through PDB2PQR) with the
pdb of the small molecule (and the mol2 file) - but it seems to be
hanging after 4 days.
Any help would be greatly appreciated
Rose Harrison
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