Index

Symbols | A | C | E | M | O | P | R

Symbols

-aromstyle <style>
rocs_report command line option
-astl <style>
rocs_report command line option
-base <NAME>
command line option
-besthits <N>
rocs command line option
-besthits N
command line option
-biggerisbetter
command line option
-chemff <cff_file>
checkcff command line option
-chemff <cffname>
rocs command line option
-chunksize M
command line option
-conflabel
rocs command line option
-countConfs
command line option
-cutoff <F>
rocs command line option
-dbase <filename>
rocs command line option
-eon_input
rocs command line option
-eon_input_file <filename>
rocs command line option
-eon_input_size <N>
rocs command line option
-eon_maxconfs <N>
rocs command line option
-hitsfile <filename>
rocs command line option
-i <filename>
rocs_report command line option
-in <filename>
checkcff command line option
command line option, [1]
makerocsdb command line option
rocs_report command line option
-logfile <filename>
rocs command line option
-maxconfs <N>
rocs command line option
-maxhits <N>
rocs command line option
-maxpages
rocs_report command line option
-mcquery
rocs command line option
-mpi_hostfile <filename>
rocs command line option
-mpi_np <n>
rocs command line option
-nchunks N
command line option
-nostructs
rocs command line option
-o <filename>
rocs_report command line option
-oformat <extension>
rocs command line option
-opt
rocs command line option
-optchem
rocs command line option
-out <filename>
command line option
rocs_report command line option
-out <oebfile>
checkcff command line option
-out <prefix>
makerocsdb command line option
-outputdir <dirname>
rocs command line option
-outputquery
rocs command line option
-pad_zeros
command line option
-pagesize <size>
rocs_report command line option
-param
rocs command line option
-prefix <name>
rocs command line option
-progress <method>
rocs command line option
-psize <size>
rocs_report command line option
-qconflabel
rocs command line option
-query <filename>
rocs command line option
-randomstarts <N>
rocs command line option
-rankby <score>
rocs command line option
-rankby <SD tag>
command line option
-refmol <filename>
rocs_report command line option
-report
rocs command line option
-report <filename>
checkcff command line option
-reportfile <filename>
rocs command line option
-scdbase
rocs command line option
-scoreonly
rocs command line option
-sdTags
rocs command line option
-shapeonly
rocs command line option
-stats
rocs command line option
-status
rocs command line option
-statusfile <filename>
rocs command line option
-subrocs
rocs command line option
-subtan
rocs command line option
-tanimoto_cutoff <F>
rocs command line option
-verbose
rocs command line option
rocs_report command line option

A

APPNAME_OE_ARCH

C

checkcff command line option
-chemff <cff_file>
-in <filename>
-out <oebfile>
-report <filename>
command line option
-base <NAME>
-besthits N
-biggerisbetter
-chunksize M
-countConfs
-in <filename>, [1]
-nchunks N
-out <filename>
-pad_zeros
-rankby <SD tag>

E

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

M

makerocsdb command line option
-in <filename>
-out <prefix>

O

OE_ARCH, [1], [2], [3]
OE_LICENSE

P

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

R

rocs command line option
-besthits <N>
-chemff <cffname>
-conflabel
-cutoff <F>
-dbase <filename>
-eon_input
-eon_input_file <filename>
-eon_input_size <N>
-eon_maxconfs <N>
-hitsfile <filename>
-logfile <filename>
-maxconfs <N>
-maxhits <N>
-mcquery
-mpi_hostfile <filename>
-mpi_np <n>
-nostructs
-oformat <extension>
-opt
-optchem
-outputdir <dirname>
-outputquery
-param
-prefix <name>
-progress <method>
-qconflabel
-query <filename>
-randomstarts <N>
-rankby <score>
-report
-reportfile <filename>
-scdbase
-scoreonly
-sdTags
-shapeonly
-stats
-status
-statusfile <filename>
-subrocs
-subtan
-tanimoto_cutoff <F>
-verbose
rocs_report command line option
-aromstyle <style>
-astl <style>
-i <filename>
-in <filename>
-maxpages
-o <filename>
-out <filename>
-pagesize <size>
-psize <size>
-refmol <filename>
-verbose