# AssignCharges interface file !BRIEF AssignCharges [-options] [] !CATEGORY "input/output options :" !PARAMETER -in !ALIAS -i !TYPE string !BRIEF Input molecule !VISIBILITY simple !REQUIRED true !KEYLESS 1 !END !PARAMETER -out !ALIAS -o !TYPE string !DEFAULT oeassigncharges.oeb.gz !BRIEF Output molecule (usually an oeb) !VISIBILITY simple !REQUIRED false !KEYLESS 2 !END !END !CATEGORY "Charging options :" !PARAMETER -method !TYPE string !LEGAL_VALUE noop !LEGAL_VALUE mmff !LEGAL_VALUE mmff94 !LEGAL_VALUE am1bcc !LEGAL_VALUE am1bccnosymspt !LEGAL_VALUE amber !LEGAL_VALUE amberff94 !LEGAL_VALUE am1bccelf10 !DEFAULT mmff94 !BRIEF which set of charges to apply !SIMPLE true !REQUIRED false !END !END