[Dock-fans] out_scored.mol2 file
oshikseg at post.tau.ac.il
Tue Aug 30 23:47:30 PDT 2005
I'm having problems with the output files I am getting. I'm running DOCK5 on a subset from ZINC database and I allways get an output file with many molecules in the out_scored file. Are the molecules in this file ranked? How can I rank them, by the energy score or by the RMSD? (In my input file the parameter out_ranked is YES and I get an empty file).
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