smitable

Sample output (from smi_to_2d) processed by smitable

Smitable is a set of Perl functions used to produce an HTML table from an input set of TDTs, SMILES, SMARTS or Molfiles. It produces <TD> elements containing

• daycgi/smi2gif images:
  If the input TDT contains 2D, the smi2gif images will be drawn with those coordinates. If the input TDT contains ALAB (color) tags, the smi2gif images will be drawn using "stigmata" colors. Molfiles are not used to make smi2gif images - use '$DY_ROOT/contrib/bin/mol2smi -output_format TDT'.
• marvin table applet:
  If the input Molfile contains 2D coordinates, the marvin images will be drawn using those coordinates. If the input Molfile contains MATCH data items, atoms will be drawn using "set colors" in Marvin. MATCH tags in an input TDT are used to color atoms. 2D coordinates in a TDT not used to make marvin drawings - use '$DY_ROOT/contrib/bin/smi2mol -input_format TDT'.

  Details:

   $table = smitable ($type, $ncols, $IN, \@smiles, $width, $height)
   Returns <TR> and <TD> elements of an HTML table containing
   $widthX$height depictions of SMILES contained in file $IN
   and/or in array $smiles (passed as \@smiles array reference).
   The table will have $ncols columns and as many rows as required
   to eat up all the SMILES.
   $type is "daysmi2gif", "marvin".
   
   $table = make_table ($type, $ncols, \@smiles, $width, $height)
   Returns <TR> and <TD> elements of an HTML table containing
   $widthX$height depictions of SMILES contained in array @smiles.
   The table will have $ncols columns and as many rows as required
   to eat up all the SMILES.  $type is "daysmi2gif", "marvin".
   
   $element = depictor ($smi, $type, $type, $width, $height)
   Returns an <IMG> or <APPLET> HTML element depdending on $type.
   $type is "daysmi2gif", "marvin".