Procedure

1. Open the simulator window. Read the general instructions on how to use this tool before starting the simulation. The masses for each amino acid were also provided.

 

2. To start the simulation, enter the spectrum as the input sequence in the box provided.

 

3. To practice the simulator, instead of step 2, users can download a sample data provided in the GUI. Here two samples are provided. Sample Cyclic-Data and Sample Non-Cyclic Data. In this procedure, Sample cyclic data is used to work out the experiment.

 

4. Click on Choose file button to upload the downloaded sample cyclic data.

 

5. The mass of the spectrum of the selected file get displayed as input sequence. Click on start simulation to observe the results.

 

6. The classification of the amino acids 1 mer to 5-mer are displayed in the result section.

 

7. Click on Show peptide sequence to observe the sequence. Click on download button to get the results (as a jpg or png) in personal computers.

 

Similarly, users can download Sample Non-Cyclic Data and follow steps 3 to 7.