#Interface settings #-pvmconf (Not set, no default) #Omega : -ewindow 30.000000 -maxconfs 3000 -maxpoolsize 20000 -maxrot 30 -maxtries 500000 -minrigidfragment 6 -ringlib ../ringlib_no.txt -rms 0.350000 #-torlib (Not set, no default) #Omicron : -MMFF94s false -itermax 1 -keepconfs 1 -numconfs 1 -refine false -tolerance 0.001000 -truncmmff false -verbose false #FileOptions : -deleteallhydrogens false -deletenonpolarhydrogens false -fixcycle true -fromCT false -in ../../../1_KEGG2SDF/C_LIGPREP_4_KEGG_MOLS/MFCD13394A.mol2 -includeinput false -interval 100 -log log -multioutputfiles false -out MFCD13394A_omega.mol2 -outputrigid true -param ../d_omega.param -prefix d_omega -warts false #MMFF : -constrain -1.000000 -finalcut false -finalopt false -finalscore true -finalsheffield false -initialopt false #PVM : -pvmdebug false -pvmpass 50