ADL: script for preparing ligand

Gavin Seddon gavin.m.seddon at manchester.ac.uk
Tue Feb 26 03:43:12 PST 2008













































HELLO,
I AM USING prepare_ligand.py BUT THE -l OPTION PRODUCES A pdbq FILE NOT
pdbqt, SO WILL IT PREP THE LIGAND CORRECTLY? ALSO, DOES THIS
AUTOMATICALLY CHOOSE THE ROOT ATOM OR DO I NEED TO USE THE -R ARGUMENT
AND WHAT INTEGER SHOULD BE CHOSEN?
GAVIN







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