Chemical Descriptors Library: Nails synopsis
Nails synopsis

             ************************************************
             +           -----  Nails v.1.0 -----           +
             +       don't send junk to the pipeline!       +
             ************************************************
             +  usage:                                      +
             +   nails [options] < infile > outfile       +
             +  options:                                    +
             +   -i [j,n,m,s]  : input format               +
             +   -o [j,n,m,s]  : output format              +
             +   -c            : print cats vector          +
             +   -f            : print fingerprints vector  +
             +   -d (t,c,b)    : descriptors: [t]opo,[b]cut +
             +                   [c]onstitutional, char[g]e,+
             +                   [a]utocorrelations, Def:all+
             +   -s [filename] : search substructures       +
             +   -r            : reverse match for the sss  +
             +   -a            : all substructs from [filena+
             +                   me] must be present        +
             +   -m [b,c,a,n]  : mapping type               +
             +   -y            : add implicit hydrog        +
             +   -x            : print desc, fing & cats    +
             +   -h            : display this help          +
             +                                              +
             + + mapping types supported:                   +
             +   [b]ond type, [c]hirality, [a]ll, [n]on     +
             +                                              +
             + + formats:                                   +
             +   [j]uice, [n]ail, [m]ol, [s]mile            +
             +   default: smile                             +
             ************************************************
             +  VJS                                         +
             ************************************************



Copyright © Vladimir Sykora & Cyprotex Ltd 2006