NAME

       cht - chemtool drawings analyzer

SYNOPSIS

       cht [options] filename.cht

DESCRIPTION

       cht  is  a  commandline  tool to derive the sum formula and molecular mass of the molecule
       depicted in a chemtool drawing file.   It  is  also  available  from  within  chemtool  to
       calculate these data for the current structure or a marked fragment of it.

       cht  currently  recognizes the element symbols  C, H, O, N, P, S, Si, B, Br, Cl, F, I, Al,
       As, Ba, Be, Bi, Ca, Cd, Co, Cr, Cs, Cu, Fe, Ga, Ge, In, K, Li, Mg, Mn, Na, Ni, Pb, Rb, Sb,
       Sc,  Se,  Sn,  Sr,  Te,  Ti,  Tl, V, Zn (that is, all main group elements except the noble
       gases, and the first row of transition metals) and the abbreviations Ac, Ade, Bn, Bu, iBu,
       tBu, Bz, BOC, Cyt, CE, DBAM, DMAM, DMTr, Et, Gua, Me, Ms, MOC, MOM, MMTr, Ph, Pr, iPr, Tf,
       Thy, Tol, Tr, Ts, TBDMS, TBDPS, TMS, TMTr, Ura, Z.

       It can handle two levels of parentheses; e.g. P[OCH(CH_3)_2]_3.

       When cht detects any duplicate (overlapping) bonds in the drawing file, it will prepend an
       exclamation mark to the calculated (and likely wrong) sum formula.

OPTIONS

       cht understands the following options:

       -h, --help
              Displays brief help and list of options.

       -e, --exact
              Calculate exact mass for MS.

       -v, --verbose
              Be verbose.

       -d, --debug
              Be extremely verbose.

BUGS

       cht can misinterpret molecules that contain the 'aromatic ring' symbol, as it uses a fixed
       search radius to identify the aromatic system that it denotes.  It also  does  not  handle
       the  'partial  double  bond', so you should avoid these two in drawings that you intend to
       use with cht.

       A label that is offset from the corresponding bond end by more than  five  pixels  is  not
       recognized, so that the default CH2 or CH3 group enters the calculation in its place.

       In  general,  one  should  check  the  plausibility  of the generated sum formula wherever
       possible.

SEE ALSO

       chemtool(1)

AUTHOR

       Radek Liboska