Extraction and Conversion of atoms, protein sequence, and Cartesian coordinate of the atoms(x, y, z) (continued)

Now, go back to Input Data panel again. Right click on 'MTRIX3' located in field 0, line 354 and select New Block Open Condition from the pull down menu. A green highlighted box will appear and the level from the origin will change because you open a new block. . Right click on ‘MTRIX3’ and choose ‘Selection Exclusive’ so that data in this line would not be included when you select data you want.

Scroll down to the bottom and right click on 'TER' located in field 0, line 1424, choose New Block Close Condition from the pull down menu. A red highlighted box will appear and levels after ‘HET” will change to 1 because you close new block. Right click on ‘TER’ and choose ‘Selection Exclusive’ so that data in this line would not be included when you select data you want.

Left click on the eight column (’38.534’ on line 355) containing the Y coordinate of the atom in the same line. This will highlight the entire column grey, meaning it is selected

Select 'Move' from the icon panel and give your rule a descriptive name. Here you just to type “Y coordinate” and press enter key to follow the remaining tutorial. This moves the data that you have selected to the 'Convert Data' panel where rule-dependent rules can be incorporated for better data extraction. (Rules are just a bunch of conditions you set so that you can extract data).

Select Rule 3, then Select the 'Copy' button from the icon panel to move your data to the 'Output Data'. In the 'Output Panel' users can add any text format to the data set and view the changes by selecting the 'Output' icon in the icon panel.

Now, go back to Input Data panel again. Right click on 'MTRIX3' located in field 0, line 354 and select New Block Open Condition from the pull down menu. A green highlighted box will appear and the level from the origin will change because you open a new block. . Right click on ‘MTRIX3’ and choose ‘Selection Exclusive’ so that data in this line would not be included when you select data you want.

Scroll down to the bottom and right click on 'TER' located in field 0, line 1424, choose New Block Close Condition from the pull down menu. A red highlighted box will appear and levels after ‘HET” will change to 1 because you close new block. Right click on ‘TER’ and choose ‘Selection Exclusive’ so that data in this line would not be included when you select data you want.

Left click on the eight column (’-1.962’ on line 355) containing the Z coordinate of the atom in the same line. This will highlight the entire column grey, meaning it is selected

Select 'Move' from the icon panel and give your rule a descriptive name. Here you just to type “Z coordinate” and press enter key to follow the remaining tutorial. This moves the data that you have selected to the 'Convert Data' panel where rule-dependent rules can be incorporated for better data extraction. (Rules are just a bunch of conditions you set so that you can extract data).

Select Rule 4, then Select the 'Copy' button from the icon panel to move your data to the 'Output Data'. In the 'Output Panel' users can add any text format to the data set and view the changes by selecting the 'Output' icon in the icon panel.

You can arrange these 4 rules and add any word to represent the format you want.

To show the Perl code, move to the 'Perl Program' panel and select 'Compile.' Your Perl program appears as shown below.

To run the program generated, select the 'Run' icon. A new window will appear with the results of your Perl program.

Written by Choongseo Chung
Dec 2005