BioJava:CookBook:PDB:mutate
How can I mutate a residue
`// mutate a protein structure`
`// and save to file`
`String filename = "5pti.pdb" ;`
`String outputfile = "mutated.pdb" ;`
`PDBFileReader pdbreader = new PDBFileReader();`
`try{`
` Structure struc = pdbreader.getStructure(filename);`
` System.out.println(struc);`
` String chainId = "A";`
` String pdbResnum = "3";`
` String newType = "ARG";`
` // mutate the original structure and create a new one.`
` // lets side chain point into the same direction, but only uses Cb atom`
` Mutator m = new Mutator();`
` Structure newstruc = m.mutate(struc,chainId,pdbResnum,newType);`
` `
` FileOutputStream out= new FileOutputStream(outputfile); `
` PrintStream p = new PrintStream( out );`
` `
` p.println (newstruc.toPDB());`
` `
` p.close();`
` `
` `
` } catch (Exception e) {`
` e.printStackTrace();`
` } `