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CHT(1)			    General Commands Manual			CHT(1)

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	avail-
       able  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 en-
       ters the	calculation in its place.

       In general, one should check the	plausibility of	the generated sum for-
       mula wherever possible.

SEE ALSO
       chemtool	(1).

AUTHOR
       Radek Liboska

				 June 17, 2001				CHT(1)

NAME | SYNOPSIS | DESCRIPTION | OPTIONS | BUGS | SEE ALSO | AUTHOR

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