Daylight v4.9
Release Date: 1 February 2008

Name

treetops - print a Thor Datatree (TDT)

Unix Synopsis

treetops [options] out.ps

Description

treetops(1) reads a TDT (in Formatted Datatree, FDT format) from standard input and prints it, including graphical depictions of molecules, reactions, and conformations, in PostScript (tm).

FDT's are a "partially preformatted" form of a TDT. Each line contains optional leading tabs, which indicate indentation, followed by the label, another tab, and the datafield. The following example illustrates this, with each tab character represented by "\\t":

SMILES\\tOc1ccccc1
\\tCluster\\t108\\tSize\\t65\\tVariance\\t0.1388
\\tGraph\\tOC1CCCCC1
\\tTRADE NAME\\tPHENOSMOL
\\t\\tAve molecular weight\\t94.1141
\\tName\\tCHLORASEPTIC
The formatted TDT would look roughly like this, except that the SMILES would be drawn as depictions (see the option -PRINT_DEPICT, below), and the Postscript produced would look much nicer:
+----------------------------------------------
| SMILES Oc1ccccc1
| +------------------------------------------
| | Cluster 108
| | Size 65
| | Variance 0.1388
| +------------------------------------------
| | TRADE NAME PHENOSMOL
| | +---------------------------------------
| | | Ave molecular weight: 94.1141
| +------------------------------------------
| | Name PHENOSMOL
+----------------------------------------------

Options

-DEPICT_HIDE_CHI_H TRUE|FALSE
Do not show implicit chiral hydrogens when not necessary for illustration of stereochemistry. Default FALSE.
-DEPICT_HLEN_PCT [0.67 - 1.00]
Scalar value for shortening the length of bonds to hydrogen. The allowed range is 0.67 (67%) to 1.00 (100%). Default 1.00.
-DEPICT_OLD_STYLE TRUE|FALSE
Use pre-v4.83 bond style renditions. Default FALSE.
-DEPICT_SUPPRESS_LABELS TRUE|FALSE
Suppress atom labelling for chains. Default TRUE.
-PRINT_BINDER NONE|LEFT|TOP|LEFTRIGHT|TOPBOTTOM
Paper margin to get extra room for binding. Default NONE.
-PRINT_BOLDWIDTH THIN|NORMAL|WIDE|EXTRAWIDE
Bold graphic line width (shows foreground, substructure). Default NORMAL.
-PRINT_COLORMODE BOW|WOB|COW|COB
Printing color mode [Black|White|Color] On [Black|White]. Default BOW (Black-On-White).
-PRINT_DATAFONT font
Font used to print data. Default: Helvetica.
-PRINT_DATASIZE size
Size of font used to print data. Default: 10 (points).
-PRINT_DEPICT tag[|tag...]
Datatype tag(s) for data which should be displayed as standard depiction(s) rather than as text. If more than one tag is specified, they are separated by vertical-bar "|" characters. Default: SMILES|Isomer|Isomeric SMILES.
-PRINT_FOOTER STANDARD|NONE
Print footer information and page number. Default is STANDARD.
-PRINT_LABELFONT font
Font used to print labels. Default: Helvetica-BoldOblique.
-PRINT_LABELSIZE size
Size of printed labels. Default: 10.
-PRINT_LANGUAGE PS|EPS
Output language (PS = PostScript, EPS = Encapsulated PostScript)
-PRINT_LINEWIDTH THIN|NORMAL|WIDE|EXTRAWIDE
Regular Graphic line width (shows background, borders, structures). Default THIN.
-PRINT_MARGINS BLEED|MINIMAL|NARROW|NORMAL|WIDE|HUGE
Basic print margins. Default NORMAL.
-PRINT_ORIENT TALL|WIDE
Paper orientation for printing. Default TALL.
-PRINT_PAGELIMIT N
Limit number of pages of output to produce (0 means no limit). Default is 100.
-PRINT_PAPER paper
Choices are: USLETTER, USLEGAL, USTABLOID, A3, A4, A5, B5, COMPUTER, FANFOLD. Default USLETTER.
-PRINT_PICTSIZE size
Size of embedded pictures in printed output (see -PRINT_DEPICT, above). Default: 72 (points).
-PRINT_SCHEMA
Tag(s) for data which should be displayed as schematic depiction(s) rather than as text. Schematic depictions are simplified by compressing hydrocarbon chains. (See also PRINT_DEPICT, above.) Default: NONE.
-PRINT_SMARTS smarts
A SMARTS string, if given, causes that substructure to be highlighted in every structure drawn. Default is "NONE" (no highlighting).
-PRINT_STEREO tag[|tag...]
Tag(s) for data (conformations) which should be displayed as stereo pair(s) rather than textually (e.g. "D3D"). If more than one tag is specified, they are separated by vertical-bar "|" characters. Default: 3D-coords|3D coords.
-PRINT_STEREO_ANG angle
Separation angle for stereo-pair images (degrees). Default: 5.
-PRINT_STEREO_SEP dist
Separation distance for stereo-pair images (points). Default: 196.
-PRINT_TEXT tag[|tag...]
Tag(s) for data which should be displayed as text, regardless. Default: NONE.
-PRINT_TITLE title
Title for printed output. Default NONE (no title).
-PRINT_TITLEFONT
Font used to print title. Default Helvetica-Bold.
-PRINT_TITLESIZE
Font size used to print title. Default 14.

Return Value

Returns status zero if all goes well, or status 1 if an error occurs.

Files

$DY_ROOT/bin/treetops

Daylight License

programs: printpackage

Related Topics

prado(1) tablet(1) xvmerlin(1) xvthor(1) licensing(5)

Bugs

None known.