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cht(1) - cht - chemtool drawings analyzer - man 1 cht

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CHT(1)                                                                  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(1,8) 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(1,8) the drawing file(1,n),
       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(1,8) 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(1,8) 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)

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