Daylight v4.9
Release Date: 1 February 2008

Object Synopsis

depiction -- object representing 2-D coordinates, atom visibilities and bond styles of a molecule or reaction

Description

A depiction is an object representing the 2-D (x,y) coordinates of a molecule's atoms. The coordinates can be computed automatically (see dt_calcxy(3)), or can be set individually from user data (see dt_setxy(3)).

As of v4.71, a depiction object obeys the boolean property "suppress" for suppressing the rendering of labels for long-chain carbon structures. Setting the depiction property (eg. dt_setboolean(dep, 8, "suppress", TRUE)) will cause the depiction to be rendered without these labels. The default in the toolkit is FALSE, which is identical to 4.62 behavior.

As of v4.81, a depiction object obeys the boolean property "xsmiles". This property, when set, causes the depiction to be rendered as its XSMILES representation without aromaticity. All aromatic rings are then drawn in Kekule form. The default is FALSE.

In v4.82 and v4.83, a depiction object obeys the boolean property "use_2d". This property, when set, can be used to control the layout of a depiction. As of v4.9, this option is obsolete. See the manual page on dt_calcxy(3) for details.

As of v4.83, a depiction object obeys the boolean property "old_style". This property, when set, causes the depiction to be rendered using bond styles (wedges and hashes) on acyclic bonds to a chiral center and may result in overspecification about a stereocenter. Without this property set, the depiction is rendered in a more conventional fashion and is generally more aesthetically pleasing to the viewer. The default is FALSE.

As of v4.83, a depiction object obeys the boolean property "hide_chi_h". This property, when set, causes the depiction to be rendered without implicit chiral hydrogens, if they are not needed to illustrate a stereocenter. The default is FALSE.

As of v4.95, a depiction object obeys the boolean property "hide_allchi_h". This property, when set, causes the depiction to be rendered without showing any unnecessary chiral hydrogens if they are not needed to illustrate the stereocenter. Normally, explicit hydrogens in an object are always shown. The default is FALSE.

As of v4.83, a depiction object obeys the real property "hlen_pct". This property, when set, causes the depiction to be rendered using a scalar value for shortening the length of bonds to hydrogen. The allowed range is 0.67 (67%) to 1.00 (100%). The default is 1.00.

Related Topics

atom(3ob) conformation(3ob) molecule(3ob) reaction(3ob)

dt_setisomeric(3) dt_setinteger(3) dt_typename(3) dt_alloc_depiction(3) dt_project(3) dt_sethandle(3) dt_integer(3) dt_calcxy(3) dt_label2(3) dt_setlabel2ga(3) dt_setga(3) dt_real(3) dt_setcoord(3) dt_handle(3) dt_label2ga(3) dt_setlabel2(3) dt_base(3) dt_string(3) dt_setstring(3) dt_orient(3) dt_zerocoord(3) dt_setadjunct(3) dt_setbondstyle(3) dt_stream(3) dt_setorient(3) dt_setcompressed(3) dt_setschematic(3) dt_framega(3) dt_getcoord(3) dt_boolean(3) dt_frame(3) dt_setframega(3) dt_setlabel1ga(3) dt_setbondstyles(3) dt_depict(3) dt_setreal(3) dt_proptype(3) dt_dealloc(3) dt_setlabel1(3) dt_compressed(3) dt_label1ga(3) dt_visible(3) dt_copy(3) dt_setboolean(3) dt_label1(3) dt_adjunct(3) dt_translate(3) dt_setvisible(3) dt_bondstyle(3) dt_isomeric(3) dt_ga(3) dt_setframe(3) dt_schematic(3) dt_rotate(3) dt_type(3) dt_scale(3) dt_propnames(3) dt_appendstring(3)