Index

Symbols | A | B | C | E | O | P

Symbols

-attachColor
brood command line option
-attachFrag
brood command line option
-attachmentCutoff (-attachcut)
brood command line option
-attachmentScale (-attach, -aScale)
brood command line option
-bondOrder (-bo)
brood command line option
-bumpRadius
brood command line option
-capAttach
command line option
-checkBond (-checkbond)
brood command line option
-checkGeometry
brood command line option
-cpddb
brood command line option
-csv
brood command line option
-db (-database)
brood command line option
-dots
brood command line option
command line option
-eganEgg (-egan)
brood command line option
-ET (-et)
brood command line option
-fileChrg
brood command line option
-filter
command line option
-flipN
command line option
-flipper
command line option
-forcefield
brood command line option
-forceFlip
command line option
-format
brood command line option
-fromCT
brood command line option
-hitinterval
brood command line option
-hitlistProt
brood command line option
-idea (-cluster)
brood command line option
-in (-i)
command line option
-in1 (-i1)
command line option
-in2 (-i2)
command line option
-info
brood command line option
-interval
brood command line option
-linkOnly (-linkonly, -struc, -struct)
brood command line option
-log
brood command line option
-maxAromFJCt
brood command line option
-maxChiral
command line option
-maxComplexity (-maxComp)
brood command line option
-maxDegree
command line option
-maxFrag
brood command line option
-maxFrequency (-maxFreq)
brood command line option
-maxFsp3C
brood command line option
-maxHit (-maxhit)
brood command line option
-maxHvy
command line option
-maxHvyAtom (-maxHeavyAtom)
brood command line option
-maxLipinski
brood command line option
-maxLipinskiAcc (-maxLipinskiAcceptors, -maxAcceptors)
brood command line option
-maxLipinskiDon (-maxLipinskiDonors, -maxDonors)
brood command line option
-maxLocalStrain
brood command line option
-maxlogp
brood command line option
-maxMartin (-maxAbbott, -maxABS)
brood command line option
-maxMolWt
command line option
-maxMolWt (-maxmolecularweight)
brood command line option
-maxpsa (-maxtpsa)
brood command line option
-maxRotBond (-maxRotatableBond)
brood command line option
-minAromFJCt
brood command line option
-minComplexity (-minComp)
brood command line option
-minDegree
command line option
-minFrequency
command line option
-minFrequency (-minFreq)
brood command line option
-minFsp3C
brood command line option
-minHvy
command line option
-minHvyAtom (-minHeavyAtom)
brood command line option
-minLipinski
brood command line option
-minLipinskiAcc (-minLipinskiAcceptors, -minAcceptors)
brood command line option
-minLipinskiDon (-minLipinskiDonors, -minDonors)
brood command line option
-minlogp
brood command line option
-minMartin (-minAbbott, -minABS)
brood command line option
-minMolWt (-minmolecularweight)
brood command line option
-minpsa (-mintpsa)
brood command line option
-minRotBond (-minRotatableBond)
brood command line option
-mpi_hostfile
brood command line option
command line option
-mpi_np
brood command line option
command line option
-neutralpH
brood command line option
-noqueryprot (-noqueryprotein)
brood command line option
-noqueryselectprot (-noqueryselectionprotein, -noqueryselection)
brood command line option
-omega
command line option
-out (-o)
command line option, [1]
-overwrite (-over)
command line option
-param
brood command line option
command line option
-prefix
brood command line option
command line option
-primaryFrag
command line option
-property (-prop)
brood command line option
-prot (-protein)
brood command line option
-queryFragment (-queryFrag)
brood command line option
-queryMol (-qMol)
brood command line option
-quickLook (-quick)
brood command line option
-rangeOffset
brood command line option
-rangeSize
brood command line option
-readConfs
command line option
-removeDuplicates (-duplicates)
command line option
-report
brood command line option
-ringOnly (-ring)
brood command line option
-sdtag
brood command line option
-select (-selection)
brood command line option
-shapeCutoff
brood command line option
-smarts
command line option
-tautomer
brood command line option
-title
brood command line option
-userFrags
command line option
-userUnique
command line option
-veber (-gsk)
brood command line option
-verbose (-v)
command line option

A

APPNAME_OE_ARCH

B

brood command line option
-ET (-et)
-attachColor
-attachFrag
-attachmentCutoff (-attachcut)
-attachmentScale (-attach, -aScale)
-bondOrder (-bo)
-bumpRadius
-checkBond (-checkbond)
-checkGeometry
-cpddb
-csv
-db (-database)
-dots
-eganEgg (-egan)
-fileChrg
-forcefield
-format
-fromCT
-hitinterval
-hitlistProt
-idea (-cluster)
-info
-interval
-linkOnly (-linkonly, -struc, -struct)
-log
-maxAromFJCt
-maxComplexity (-maxComp)
-maxFrag
-maxFrequency (-maxFreq)
-maxFsp3C
-maxHit (-maxhit)
-maxHvyAtom (-maxHeavyAtom)
-maxLipinski
-maxLipinskiAcc (-maxLipinskiAcceptors, -maxAcceptors)
-maxLipinskiDon (-maxLipinskiDonors, -maxDonors)
-maxLocalStrain
-maxMartin (-maxAbbott, -maxABS)
-maxMolWt (-maxmolecularweight)
-maxRotBond (-maxRotatableBond)
-maxlogp
-maxpsa (-maxtpsa)
-minAromFJCt
-minComplexity (-minComp)
-minFrequency (-minFreq)
-minFsp3C
-minHvyAtom (-minHeavyAtom)
-minLipinski
-minLipinskiAcc (-minLipinskiAcceptors, -minAcceptors)
-minLipinskiDon (-minLipinskiDonors, -minDonors)
-minMartin (-minAbbott, -minABS)
-minMolWt (-minmolecularweight)
-minRotBond (-minRotatableBond)
-minlogp
-minpsa (-mintpsa)
-mpi_hostfile
-mpi_np
-neutralpH
-noqueryprot (-noqueryprotein)
-noqueryselectprot (-noqueryselectionprotein, -noqueryselection)
-param
-prefix
-property (-prop)
-prot (-protein)
-queryFragment (-queryFrag)
-queryMol (-qMol)
-quickLook (-quick)
-rangeOffset
-rangeSize
-report
-ringOnly (-ring)
-sdtag
-select (-selection)
-shapeCutoff
-tautomer
-title
-veber (-gsk)

C

command line option
-capAttach
-dots
-filter
-flipN
-flipper
-forceFlip
-in (-i)
-in1 (-i1)
-in2 (-i2)
-maxChiral
-maxDegree
-maxHvy
-maxMolWt
-minDegree
-minFrequency
-minHvy
-mpi_hostfile
-mpi_np
-omega
-out (-o), [1]
-overwrite (-over)
-param
-prefix
-primaryFrag
-readConfs
-removeDuplicates (-duplicates)
-smarts
-userFrags
-userUnique
-verbose (-v)

E

environment variable
APPNAME_OE_ARCH
OE_ARCH, [1], [2]
OE_LICENSE
PATH, [1], [2], [3], [4]

O

OE_ARCH, [1], [2]
OE_LICENSE

P

PATH, [1], [2], [3], [4]