"input-format", string
smilesrsmilesmolfilerxnfile
"output-format", string, *
pdf – Portable Document Format
png – Portable Network Graphicssvg – Scalable Vector Graphicswmf – Enhanced Windows Metafilemol – MDL MOLFile (layout)rxn – MDL RXNFile (layout)
"query", boolean
Treat the molecule or reaction as a query. Disabled by default. Enabling it implies showing 'stereo care' boxes on SMILES molecules/reactions with cis-trans bonds, turning off the computation of radicals/valences in SMILES molecules/reactions, and hiding any implicit hydrogens. Note: Enabling this parameter should be done before loading the molecule or reaction.
"image-size", size, *
Width and height of target image.
"bond-length", float, *
The average bond length desired. Overridden by the image-size.
"margin-factor", float
The size of image margin, measured from outermost atom position, relative to average bond length. Default is 1.0, recommended minimum is 0.55.
"output-file", string, *
Target file path.
"relative-thickness", float
Sets the thickness of a bond to rt/30 of the average bond length. Default is 1.0.
"background-color", color
If not set, background is transparent.
"base-color", color
The default color for atoms and bonds. Initially black.
"implicit-hydrogen-mode", string
noneterminalheteroterminalhetero (default)allAtoms on which to make implicit hydrogens visible. This parameter overrides label-mode, e.g. is the latter
is set to none and the former – to hetero, all heteroatoms will be visible along with implicit hydrogens,
if any.
"coloring", boolean
Atom coloring, e.g. nitrogen is blue, oxygen is red, etc.
"valences-visible", boolean
"atom-ids-visible", boolean
"bond-ids-visible", boolean
"stereo-old-style", boolean
If set, hides stereogroups and displays “Chiral” when appropriate.
"aromatization", string
aromatize, aromdearomatize, dear, dearomnone (default)Aromatize, dearomatize or keep the molecule as is.
"label-mode", string
normal (default) – show heteroatoms, terminal atoms, atoms with radical, charge, isotope or other
attribute and atoms having two adjacent bonds in a lineforceshow – show all atomshideterminal – same as normal, but hide terminal carbonsforcehide – hide all labels, show only bonds
"highlight-thickness-enabled", boolean
Enables or disables highlighting by thickness. Disabled by default.
"highlight-color-enabled", boolean
Enables or disables highlighting with color. Enabled by default.
"highlight-color", color
Sets the color to be used for highlighting. Default is red.
"aam-color", color
Atom-by-atom mapping indices color in reactions.
"center-double-bond-when-stereo-adjacent", boolean
Whether or not to force double bond centering when it has two single adjacent bonds, one of which is a stereo (up or down) bond directed towards this double bond. By default disabled.
"comment", string
Put a single-line comment at the top or bottom of the image. If the image size is set explicitly, it must not be smaller than the size of the comment bounding box.
"comment-position", string
topbottom (default)
"comment-alignment", string
Align comment to either side of the image or center it. Note that this has no effect if comment is larger than the molecule/reaction rendered.
leftcenter (default)right
"comment-font-size", int
Set font size for the comment. The size is set in absolute units, roughly equal to the height in pixels. Default is 20.
"comment-color", color
Color to use for the comment. Default is black.
Note: (*) – The starred options also have dedicated methods to set them. Such methods for the other options are declared obsolete.