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Thread: Data Extraction using JAVA
- 06-01-2010, 07:58 AM #1
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Data Extraction using JAVA
Hi Everyone
I need help in writing a program. Basically this program is supposed to open files dynamically from a folder and extract the parts that i need only.
Currently what i have is only opening ONE file and only using one delimiter to start the extraction process which is a little off what I need and have to do.
Would be great if I could get some help here.
Below is the code that I already have:
The part of the file I would need is all the lines starting after Model 1 provided if the last column on the right is NOT 'H' and the program should end once it meets ENDMDL. So, How would i need to modify my current program to suit what I need? Help pleaseee.import java.util.Scanner;
import java.io.*;
public class Extraction
{
private static final String STREAM_NAME = "C:\Users\Royston\Desktop\Proteins\2RQW.pdb";
public static void main(String[] args)
{
Scanner fileScan = null;
String extraction = null;
try
{
fileScan = new Scanner(Extraction.class.getResourceAsStream(STREA M_NAME));
// apply the delimiter to the scanner reading the whole file
fileScan.useDelimiter("MODEL 1");
while (fileScan.hasNext())
{
extraction = fileScan.next();
System.out.println("");
System.out.println("");
System.out.println("");
System.out.println("Extraction Starts Here:");
System.out.print(extraction);
System.out.println("Extraction ENDS Here.");
try{
// Create file
FileWriter fstream = new FileWriter("2RQWEXTRACTED.txt");
BufferedWriter out = new BufferedWriter(fstream);
out.write(extraction);
//Close the output stream
out.close();
}catch (Exception e){//Catch exception if any
System.err.println("Error: " + e.getMessage());
}
}
}
catch (Exception e)
{
e.printStackTrace();
}
}
}
MODEL 1
ATOM 1 N SER A 253 -19.559 -25.512 -41.130 1.00 0.00 N
ATOM 2 CA SER A 253 -18.749 -26.500 -41.895 1.00 0.00 C
ATOM 3 C SER A 253 -17.587 -26.979 -41.032 1.00 0.00 C
ATOM 4 O SER A 253 -16.504 -27.273 -41.538 1.00 0.00 O
ATOM 5 CB SER A 253 -18.218 -25.843 -43.167 1.00 0.00 C
ATOM 6 OG SER A 253 -17.271 -24.841 -42.819 1.00 0.00 O
ATOM 7 H1 SER A 253 -18.928 -24.906 -40.567 1.00 0.00 H
ATOM 8 H2 SER A 253 -20.212 -26.016 -40.494 1.00 0.00 H
ATOM 9 H3 SER A 253 -20.104 -24.923 -41.790 1.00 0.00 H
ATOM 10 HA SER A 253 -19.371 -27.344 -42.159 1.00 0.00 H
ATOM 11 HB2 SER A 253 -17.735 -26.585 -43.786 1.00 0.00 H
ATOM 12 HB3 SER A 253 -19.042 -25.399 -43.715 1.00 0.00 H
ATOM 13 HG SER A 253 -16.398 -25.161 -43.058 1.00 0.00 H
ATOM 14 N THR A 254 -17.819 -27.053 -39.724 1.00 0.00 N
ATOM 15 CA THR A 254 -16.783 -27.498 -38.796 1.00 0.00 C
ATOM 16 C THR A 254 -17.406 -28.192 -37.591 1.00 0.00 C
ATOM 17 O THR A 254 -17.294 -29.409 -37.438 1.00 0.00 O
ATOM 18 CB THR A 254 -15.954 -26.301 -38.324 1.00 0.00 C
ATOM 19 OG1 THR A 254 -16.815 -25.333 -37.740 1.00 0.00 O
ATOM 20 CG2 THR A 254 -15.220 -25.683 -39.514 1.00 0.00 C
ATOM 21 H THR A 254 -18.700 -26.805 -39.377 1.00 0.00 H
ATOM 22 HA THR A 254 -16.130 -28.193 -39.302 1.00 0.00 H
ATOM 23 HB THR A 254 -15.233 -26.628 -37.592 1.00 0.00 H
ATOM 24 HG1 THR A 254 -16.416 -25.036 -36.920 1.00 0.00 H
ATOM 25 HG21 THR A 254 -14.730 -26.462 -40.078 1.00 0.00 H
ATOM 26 HG22 THR A 254 -14.484 -24.980 -39.156 1.00 0.00 H
ATOM 27 HG23 THR A 254 -15.928 -25.170 -40.148 1.00 0.00 H
ATOM 28 N ALA A 255 -18.063 -27.413 -36.738 1.00 0.00 N
TER 2254 ASP A 407
ENDMDL
MASTER 141 0 0 9 0 0 0 6 1137 1 0 12
END
- 06-01-2010, 08:02 AM #2
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