[英]Bioinformatics - Need to get the ATOMS sequence
I search a method in BioJava to get the Atom sequence from a PDB file. 我在BioJava中搜索一个方法,从PDB文件中获取Atom序列。 I watched the BioJava API but for the getAtomSequence() it catches the amino acids.
我观察了BioJava API但是对于getAtomSequence()它捕获了氨基酸。 I tried with several other method in BioJava but nothing worked as I want.
我尝试使用BioJava中的其他几种方法,但没有任何方法可行。
Can anybody help me here ? 有人可以帮我吗?
Thanks 谢谢
I resolved it ... Solution for the interested : 我解决了...感兴趣的解决方案:
try{
PDBFileReader read=new PDBFileReader();
Structure pdb=read.getStructure(filename);
System.out.println("PDB code :"+pdb.getPDBCode());
List chains=Collections.synchronizedList(new ArrayList());
chains=pdb.getChains();
for(Iterator iter=chains.iterator();iter.hasNext();){
Chain c=(Chain)(iter.next());
System.out.println("Chain :"+c.getName()+"\n"+"Seq aa :"+c.getAtomSequence());
for(int j=0;j<c.getAtomLength();j++){
for (int k=0; k < c.getAtomGroup(j).size(); k++ ){
Atom a=c.getAtomGroup(j).getAtom(k);
System.out.println("Name : "+a.getName()+" X : "+a.getX()+" Y : "+a.getY()+" Z : "+a.getZ());
}
}
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