# Generating 2D coordinates¶

A program that assigns 2D coordinates to molecule(s).

## Command Line Interface¶

A description of the command line interface can be obtained by executing the program with the –help argument.

prompt> depict --help


will generate the following output:

Simple parameter list
input/output options :
-in : Input filename
-out : Output filename
-ringdict : User-defined 2D ring dictionary

prepare depiction options :
-orientation : Set the preferred orientation of 2D coordinates
-suppressH : Suppress explicit hydrogens of molecule(s)


## Code¶

depict.cpp and depict.txt interface file

## Example¶

prompt> depict .ism .mol

C(=O)N


will generate the following output:

  -OEChem-07031123462D

3  2  0     0  0  0  0  0  0999 V2000
0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-0.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
1  2  2  0  0  0  0
1  3  1  0  0  0  0
M  END


Note

The above program can generate 2D coordinates with user-defined 2D ring layouts when using the -ringdict parameter.

See also the 2D coordinate generation examples section of the OEChem TK manual that shows examples about how to generate and utilize user-defined ring dictionaries.