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More manual fixes
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_wikis/BioJava:CookBook:PDB:seqres.md

Lines changed: 35 additions & 33 deletions
Original file line numberDiff line numberDiff line change
@@ -22,7 +22,9 @@ Groups derived from SEQRES groups will be empty (i.e. they will not
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contain Atoms), unless they could be mapped to the ATOM records, in
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which case the full ATOM information can be accessed.
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Example: ```java import java.util.List; import
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Example:
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```java
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import java.util.List; import
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org.biojava.nbio.structure.Chain; import
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org.biojava.nbio.structure.Group; import
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org.biojava.nbio.structure.GroupType; import
@@ -33,39 +35,39 @@ org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior;
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public class SeqResCookBook {
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`   public static void main(String[] args) throws Exception {`
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`       `
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`       String code =  "1aoi";`
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   public static void main(String[] argsthrows Exception {
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       String code =  "1aoi";
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`       PDBFileReader pdbreader = new PDBFileReader();`
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`       FileParsingParameters params = new FileParsingParameters();`
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`       params.setParseSecStruc(true);// parse the secondary structure information from PDB file`
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`       params.setAlignSeqRes(true);  // align SEQRES and ATOM records`
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`       pdbreader.setFileParsingParameters(params);`
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`       `
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`       pdbreader.setFetchBehavior(FetchBehavior.FETCH_FILES);   // fetch PDB files from web if they can't be found locally`
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`       Structure struc = pdbreader.getStructureById(code);`
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`       System.out.println("The SEQRES and ATOM information is available via the chains:");`
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`       int modelnr = 0 ; // also is 0 if structure is an XRAY structure.`
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`       List`<Chain>` chains = struc.getChains(modelnr);`
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`       for (Chain cha:chains){`
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`           List`<Group>` agr = cha.getAtomGroups(GroupType.AMINOACID);`
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`           List`<Group>` hgr = cha.getAtomGroups(GroupType.HETATM);`
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`           List`<Group>` ngr = cha.getAtomGroups(GroupType.NUCLEOTIDE);`
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`           System.out.print("chain: >"+cha.getChainID()+"<");`
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`           System.out.print(" length SEQRES: " +cha.getSeqResLength());`
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`           System.out.print(" length ATOM: " +cha.getAtomLength());`
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`           System.out.print(" aminos: " +agr.size());`
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`           System.out.print(" hetatms: "+hgr.size());`
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`           System.out.println(" nucleotides: "+ngr.size());  `
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`       }`
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`   }`
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       PDBFileReader pdbreader = new PDBFileReader();
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       FileParsingParameters params = new FileParsingParameters();
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       params.setParseSecStruc(true);// parse the secondary structure information from PDB file
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       params.setAlignSeqRes(true);  // align SEQRES and ATOM records
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       pdbreader.setFileParsingParameters(params);
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       pdbreader.setFetchBehavior(FetchBehavior.FETCH_FILES);   // fetch PDB files from web if they can't be found locally
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       Structure struc = pdbreader.getStructureById(code);
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       System.out.println("The SEQRES and ATOM information is available via the chains:");
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       int modelnr = 0 ; // also is 0 if structure is an XRAY structure.
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       List<Chain> chains = struc.getChains(modelnr);
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       for (Chain cha:chains){
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           List<Group> agr = cha.getAtomGroups(GroupType.AMINOACID);
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           List<Group> hgr = cha.getAtomGroups(GroupType.HETATM);
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           List<Group> ngr = cha.getAtomGroups(GroupType.NUCLEOTIDE);
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           System.out.print("chain: >"+cha.getChainID()+"<");
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           System.out.print(" length SEQRES: " +cha.getSeqResLength());
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           System.out.print(" length ATOM: " +cha.getAtomLength());
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           System.out.print(" aminos: " +agr.size());
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           System.out.print(" hetatms: "+hgr.size());
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           System.out.println(" nucleotides: "+ngr.size());  
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       }
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   }
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}
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