indigo-depict - molecule and reaction rendering utility
Contents
Description
indigo-depict is used for depicting molecules.
Examples
indigo-depictinfile.moloutfile.png-coloringoff-aromindigo-depictdatabase.sdfmolecule_%s.png-idfieldcdbregno-thickness1.1indigo-depictdatabase.smidatabase.sdfindigo-depict-CC.[O-][*-]([O-])=Oquery.png-queryindigo-depict-OCO>>CC(C)Nreaction.rxn
Name
indigo-depict - molecule and reaction rendering utility
Options
indigo-depict can read input files or SMILES code from the standard input. These can be followed by one
or more of the following parameters.
-w<number>
Picture width in pixels
-h<number>
Picture height in pixels
-bond<number>
Average bond length in pixels
-margins<number><number>
Horizontal and vertical margins, in pixels. No margins by default
-thickness<number>
Set relative thickness factor. Default is 1.0-linewidth<number>
Set bond line width factor. Default is 1.0-label<none|hetero|terminal-hetero|all>
Set atom label display mode. Default is terminal-hetero-hydro<on|off>
Show implicit hydrogens. Default is on-[de]arom
Force [de]aromatization
-stereo<old|ext|none>
Stereogroups display mode. Default is old-cdbwsa
Center double bonds which have an adjacent stereo bond (disabled by default)
-query Treat the input as a query molecule or reaction (disabled by default)
-smarts
Treat the input as a SMARTS query molecule or reaction (disabled by default)
-idfield<string>
SDF/RDF field to be put in place of '%s' in the names of saved files (default is molecule/reaction
number)
-catalysts<above|above-and-below>
Reaction catalysts placement w.r.t. the arrow. Default is above-and-below-comment<string>
Text comment to be put above the molecule or reaction. No default value
-commentoffset<number>
Vertical space (in pixels) between the comment and the structure
-commentfield<string>
Use specified SDF/RDF field as a comment
-commentname
Use molecule/reaction name as a comment
-commentsize<number>
Text comment font size factor relative to bond thickness. Default is 6-commentpos<top|bottom>
Text comment position (bottom by default)
-commentalign<0..1>
Text comment alignment, a float value: 0 = left, 0.5 = center, 1 = right
-coloring<on|off>
Enable/disable coloring. Default is on-hlthick
Enable highlighting with thick lines and bold characters
-hlcolor<red><green><blue>
Enable highlighting with color. Component values must be in range [0..255]
-bgcolor<red><green><blue>
Set the background color. Component values must be in range [0..255]
-basecolor<red><green><blue>
Set the default foreground color. Component values must be in range [0..255]
-aamcolor<red><green><blue>
Set the color of AAM indices. Component values must be in range [0..255]
-dsgcolor<red><green><blue>
Set the color of data SGroups. Component values must be in range [0..255]
-commentcolor<red><green><blue>
Set the color of the comment. Component values must be in range [0..255]
-atomnumbers
Show atom numbers (for debugging purposes only)
-bondnumbers
Show bond numbers (for debugging purposes only)
-onebased
Start atom and bond indices from one. Default is from zero
-help Print this help message
Synopsis
indigo-depictinfile.{mol,rxn,cml,smi}outfile.{png,svg,pdf} [parameters]
indigo-depictinfile.{cml,rdf,rdf.gz,sdf,sdf.gz,smi}outfile_%s.{png,svg,pdf} [parameters]
indigo-depictinfile.smioutfile.{cml,mol,rdf,rxn,sdf} [parameters]
indigo-depict-SMILESoutfile.{cml,mol,pdf,png,rxn,svg} [parameters]
indigo-depict-help