# =$$$$$$$ # important: plugins cannot have -c options because it is in conflict with the # general option -c --config. # separate parameter description items by ';' (will be separated by newline # characters) in # do not use $ characters except for field separation # is optional bemismurcko=$BemisMurckoPlugin\ $BemisMurckoPlugin.jar\ $-\ $t=type:structure;i=lfin:false;o=lfout:false;s=keepsingleatom:true;f=format:smiles\ $BEMISMURCKO\ $Calculates Bemis-Murcko framework of the molecule\ $-i, --lfin=[true|false] Process only the largest fragment\n\of input structure (default: false);-o, --lfout=[true|false] Return only the largest fragment of\nthe result (default: false);-s, --keepsingleatom=[true|false] Return a single atom for non-empty\nacyclic input structures (default: true);-f, --format= (default: smiles)\ $cxcalc bemismurcko test.mol bemismurckoatomcount=$BemisMurckoPlugin\ $BemisMurckoPlugin.jar\ $-\ $t=type:atomcount;i=lfin:false;o=lfout:false;s=keepsingleatom:true\ $BEMISMURCKO_ATOM_COUNT\ $Calculates the number of atoms in the Bemis-Murcko framework\ $-i, --lfin=[true|false] Process only the largest fragment\n\of input structure (default: false);-o, --lfout=[true|false] Return only the largest fragment of\nthe result (default: false);-s, --keepsingleatom=[true|false] Return a single atom for non-empty\nacyclic input structures (default: true)\ $cxcalc bemismurckoatomcount test.mol bemismurckobondcount=$BemisMurckoPlugin\ $BemisMurckoPlugin.jar\ $-\ $t=type:bondcount;i=lfin:false;o=lfout:false;s=keepsingleatom:true\ $BEMISMURCKO_BOND_COUNT\ $Calculates the number of bonds in the Bemis-Murcko framework\ $-i, --lfin=[true|false] Process only the largest fragment\n\of input structure (default: false);-o, --lfout=[true|false] Return only the largest fragment of\nthe result (default: false);-s, --keepsingleatom=[true|false] Return a single atom for non-empty\nacyclic input structures (default: true)\ $cxcalc bemismurckobondcount test.mol