X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fdatamodel%2FSequence.java;h=46871161c2eea5b89bb193ebe6e86b2fbb038548;hb=c766c1829042b039ea2ff56fc05f4a0100c2a73d;hp=691a1f1f3d1602659932bfc13097c5f77ac6a4c9;hpb=df36af4b025b8435e31ae060a939e9c855e03506;p=jalview.git diff --git a/src/jalview/datamodel/Sequence.java b/src/jalview/datamodel/Sequence.java index 691a1f1..4687116 100755 --- a/src/jalview/datamodel/Sequence.java +++ b/src/jalview/datamodel/Sequence.java @@ -1,229 +1,708 @@ -package jalview.datamodel; - -import jalview.analysis.*; -import java.awt.*; -import java.util.*; -import MCview.*; - - -public class Sequence implements SequenceI -{ - protected String name; - protected String sequence; - protected String description; - protected int start; - protected int end; - protected String displayId; - protected Color color = Color.white; - String pdbId; - PDBfile pdb; - - public int maxchain = -1; - public int pdbstart; - public int pdbend; - public int seqstart; - public int seqend; - - public Vector sequenceFeatures = new Vector(); - public void setSequenceFeatures(Vector v) - { - sequenceFeatures = v; - } - - public Vector getSequenceFeatures() - {return sequenceFeatures; } - - public void setPDBId(String id) - { - pdbId = id; - } - public String getPDBId() - { - return pdbId; - } - - public void setPDBfile(PDBfile pdb) - { - this.pdb = pdb; - int max = -10; - maxchain = -1; - - for (int i=0; i < pdb.chains.size(); i++) { - - System.out.println("PDB sequence = " + ((PDBChain)pdb.chains.elementAt(i)).sequence); - // Now lets compare the sequences to get - // the start and end points. - - - StringTokenizer str = new StringTokenizer(sequence, "."); - String newString = ""; - - while (str.hasMoreTokens()) { - newString += str.nextToken(); - } - // Align the sequence to the pdb - AlignSeq as = new AlignSeq(this,((PDBChain)pdb.chains.elementAt(i)).sequence,"pep"); - as.calcScoreMatrix(); - as.traceAlignment(); - as.printAlignment(); - - System.out.println("Score = " + as.maxscore); - if (as.maxscore > max) { - System.out.println("New max score"); - max = as.maxscore; - maxchain = i; - - pdbstart = as.seq2start; - pdbend = as.seq2end; - seqstart = as.seq1start - 1 ; - seqend = as.seq1end -1; - } - - System.out.println("PDB start/end " + pdbstart + " " + pdbend); - System.out.println("SEQ start/end " + seqstart + " " + seqend); - } - } - - public Sequence(String name, String sequence, int start, int end) - { - - this.name = name; - this.sequence = sequence; - this.start = start; - this.end = end; - - setDisplayId(); - - } - - public Sequence(String name,String sequence) { - this(name,sequence,1,sequence.length()); - } - public Sequence(SequenceI seq) { - this(seq.getName(),seq.getSequence(),seq.getStart(),seq.getEnd()); - } - public String getDisplayId() { - return displayId; - } - public void setDisplayId() { - displayId = name + "/" + start + "-" + end; - } - public void setName(String name) { - this.name = name; - setDisplayId(); - } - public String getName() { - return this.name; - } - public void setStart(int start) { - this.start = start; - setDisplayId(); - } - public int getStart() { - return this.start; - } - public void setEnd(int end) { - this.end = end; - setDisplayId(); - } - public int getEnd() { - return this.end; - } - public int getLength() { - return this.sequence.length(); - } - public void setSequence(String seq) { - this.sequence = seq; - } - public String getSequence() { - return this.sequence; - } - public String getSequence(int start,int end) { - if(end>sequence.length()) - end = sequence.length(); - return this.sequence.substring(start,end); - } - - public char getCharAt(int i) { - if (i < sequence.length()) { - return sequence.charAt(i); - } else { - return ' '; - } - } - public void setDescription(String desc) { - this.description = desc; - } - public String getDescription() { - return this.description; - } - - public int findIndex(int pos) { - // returns the alignment position for a residue - int j = start; - int i = 0; - - while (i< sequence.length() && j <= end && j <= pos) { - - char c = sequence.charAt(i); - - if (!jalview.util.Comparison.isGap((c))) - j++; - - i++; - } - if (j == end && j < pos) - return end+1; - else - return i; - - } - - public int findPosition(int i) { - // Returns the sequence position for an alignment position - int j = 0; - int pos = start; - - while (j < i && j