Interface Demo

1(X129,Y-56),2N,2(X142,Y-83),3(X172,Y-83),4O,4(X185,Y-56),5(X192,Y-106),6N,6(X185,Y-135),7(X158,Y-149),8(X131,Y-136),9(X124,Y-107),10(X95,Y-98),11(X73,Y-119),12(X80,Y-148),13(X109,Y-157),14Cl,14(X58,Y-168),15(X158,Y-178),16(X185,Y-193),17(X185,Y-222),18(X159,Y-237),19(X133,Y-223),20(X132,Y-194),1-2(Q1024),2-3(Q1024),2-9(Q1024),3=4(Q1024),3-5(Q1024),5-6(Q1024),6=7(Q1024),7-8(Q1024),7-15(Q1024),8=9(Q1024),8-13(Q1024),9-10(Q1024),10=11(Q1024),11-12(Q1024),12=13(Q1024),12-14(Q1024),15=16(Q1024),15-20(Q1024),16-17(Q1024),17=18(Q1024),18-19(Q1024),19=20(Q1024).

rosdal icf molct V3000 sdct smiles

1. Create a test structure/reaction

Please draw a structure/reaction with ICEdit JavaScript which is needed for the steps below.

2. Getting scheme in different formats

The getter methods provide you with the corresponding structure, reaction or scheme:

get rosdal get icf get molct get V3000 get sdct get smiles get canonical smiles get mdlct (native) get mdlct V3000 (native)

3. Drawing a structure/reaction

The setter methods draw a structure, reaction or scheme on the ICEditJS canvas.

In this example the content in the text area above will be used as input:

set rosdal set rosdal ungroup set icf set molct set sdfile set mdlct native set cdx native add hydrogens rosdal native set smiles set marvin

4. Creating scaled png images

These methods create a png file with user defined width and height values:

create scaled image

Width: Height: Border:

Optional parameters:

Maximum font size (0 is not set):