*/
package jalview.schemes;
+import jalview.analysis.GeneticCodes;
+
import java.awt.Color;
import java.util.ArrayList;
import java.util.Arrays;
public static String START = "ATG";
- /**
- * Nucleotide Ambiguity Codes
- */
- public static final Map<String, String[]> ambiguityCodes = new Hashtable<>();
-
- /**
- * Codon triplets with additional symbols for unambiguous codons that include
- * ambiguity codes
- */
- public static final Hashtable<String, String> codonHash2 = new Hashtable<>();
-
- /**
- * all ambiguity codes for a given base
- */
- public final static Hashtable<String, List<String>> _ambiguityCodes = new Hashtable<>();
-
- static
- {
- /*
- * Ambiguity codes as per http://www.chem.qmul.ac.uk/iubmb/misc/naseq.html
- */
- ambiguityCodes.put("R", new String[] { "A", "G" });
- ambiguityCodes.put("Y", new String[] { "T", "C" });
- ambiguityCodes.put("W", new String[] { "A", "T" });
- ambiguityCodes.put("S", new String[] { "G", "C" });
- ambiguityCodes.put("M", new String[] { "A", "C" });
- ambiguityCodes.put("K", new String[] { "G", "T" });
- ambiguityCodes.put("H", new String[] { "A", "T", "C" });
- ambiguityCodes.put("B", new String[] { "G", "T", "C" });
- ambiguityCodes.put("V", new String[] { "G", "A", "C" });
- ambiguityCodes.put("D", new String[] { "G", "A", "T" });
- ambiguityCodes.put("N", new String[] { "G", "A", "T", "C" });
-
- // Now build codon translation table
- codonHash2.put("AAA", "K");
- codonHash2.put("AAG", "K");
- codonHash2.put("AAC", "N");
- codonHash2.put("AAT", "N");
-
- codonHash2.put("CAA", "Q");
- codonHash2.put("CAG", "Q");
- codonHash2.put("CAC", "H");
- codonHash2.put("CAT", "H");
-
- codonHash2.put("GAA", "E");
- codonHash2.put("GAG", "E");
- codonHash2.put("GAC", "D");
- codonHash2.put("GAT", "D");
-
- codonHash2.put("TAC", "Y");
- codonHash2.put("TAT", "Y");
-
- codonHash2.put("ACA", "T");
- codonHash2.put("ACC", "T");
- codonHash2.put("ACT", "T");
- codonHash2.put("ACG", "T");
-
- codonHash2.put("CCA", "P");
- codonHash2.put("CCG", "P");
- codonHash2.put("CCC", "P");
- codonHash2.put("CCT", "P");
-
- codonHash2.put("GCA", "A");
- codonHash2.put("GCG", "A");
- codonHash2.put("GCC", "A");
- codonHash2.put("GCT", "A");
-
- codonHash2.put("TCA", "S");
- codonHash2.put("TCG", "S");
- codonHash2.put("TCC", "S");
- codonHash2.put("TCT", "S");
- codonHash2.put("AGC", "S");
- codonHash2.put("AGT", "S");
-
- codonHash2.put("AGA", "R");
- codonHash2.put("AGG", "R");
- codonHash2.put("CGA", "R");
- codonHash2.put("CGG", "R");
- codonHash2.put("CGC", "R");
- codonHash2.put("CGT", "R");
-
- codonHash2.put("GGA", "G");
- codonHash2.put("GGG", "G");
- codonHash2.put("GGC", "G");
- codonHash2.put("GGT", "G");
-
- codonHash2.put("TGA", "*");
- codonHash2.put("TAA", "*");
- codonHash2.put("TAG", "*");
-
- codonHash2.put("TGG", "W");
-
- codonHash2.put("TGC", "C");
- codonHash2.put("TGT", "C");
-
- codonHash2.put("ATA", "I");
- codonHash2.put("ATC", "I");
- codonHash2.put("ATT", "I");
-
- codonHash2.put("ATG", "M");
-
- codonHash2.put("CTA", "L");
- codonHash2.put("CTG", "L");
- codonHash2.put("CTC", "L");
- codonHash2.put("CTT", "L");
- codonHash2.put("TTA", "L");
- codonHash2.put("TTG", "L");
-
- codonHash2.put("GTA", "V");
- codonHash2.put("GTG", "V");
- codonHash2.put("GTC", "V");
- codonHash2.put("GTT", "V");
-
- codonHash2.put("TTC", "F");
- codonHash2.put("TTT", "F");
-
- buildAmbiguityCodonSet();
- }
-
- /**
- * programmatic generation of codons including ambiguity codes
- */
- public static void buildAmbiguityCodonSet()
- {
- if (_ambiguityCodes.size() > 0)
- {
- System.err
- .println("Ignoring multiple calls to buildAmbiguityCodonSet");
- return;
- }
- // Invert the ambiguity code set
- for (Map.Entry<String, String[]> acode : ambiguityCodes.entrySet())
- {
- for (String r : acode.getValue())
- {
- List<String> codesfor = _ambiguityCodes.get(r);
- if (codesfor == null)
- {
- _ambiguityCodes.put(r, codesfor = new ArrayList<>());
- }
- if (!codesfor.contains(acode.getKey()))
- {
- codesfor.add(acode.getKey());
- }
- else
- {
- System.err.println(
- "Inconsistency in the IUBMB ambiguity code nomenclature table: collision for "
- + acode.getKey() + " in residue " + r);
- }
- }
- }
- // and programmatically add in the ambiguity codes that yield the same amino
- // acid
- String[] unambcodons = codonHash2.keySet()
- .toArray(new String[codonHash2.size()]);
- for (String codon : unambcodons)
- {
- String residue = codonHash2.get(codon);
- String acodon[][] = new String[codon.length()][];
- for (int i = 0, iSize = codon.length(); i < iSize; i++)
- {
- String _ac = "" + codon.charAt(i);
- List<String> acodes = _ambiguityCodes.get(_ac);
- if (acodes != null)
- {
- acodon[i] = acodes.toArray(new String[acodes.size()]);
- }
- else
- {
- acodon[i] = new String[] {};
- }
- }
- // enumerate all combinations and test for veracity of translation
- int tpos[] = new int[codon.length()],
- cpos[] = new int[codon.length()];
- for (int i = 0; i < tpos.length; i++)
- {
- tpos[i] = -1;
- }
- tpos[acodon.length - 1] = 0;
- int ipos, j;
- while (tpos[0] < acodon[0].length)
- {
- // make all codons for this combination
- char allres[][] = new char[tpos.length][];
- String _acodon = "";
- for (ipos = 0; ipos < tpos.length; ipos++)
- {
- if (acodon[ipos].length == 0 || tpos[ipos] < 0)
- {
- _acodon += codon.charAt(ipos);
- allres[ipos] = new char[] { codon.charAt(ipos) };
- }
- else
- {
- _acodon += acodon[ipos][tpos[ipos]];
- String[] altbase = ambiguityCodes.get(acodon[ipos][tpos[ipos]]);
- allres[ipos] = new char[altbase.length];
- j = 0;
- for (String ab : altbase)
- {
- allres[ipos][j++] = ab.charAt(0);
- }
- }
- }
- // test all codons for this combination
- for (ipos = 0; ipos < cpos.length; ipos++)
- {
- cpos[ipos] = 0;
- }
- boolean valid = true;
- do
- {
- String _codon = "";
- for (j = 0; j < cpos.length; j++)
- {
- _codon += allres[j][cpos[j]];
- }
- String tr = codonHash2.get(_codon);
- if (valid = (tr != null && tr.equals(residue)))
- {
- // advance to next combination
- ipos = acodon.length - 1;
- while (++cpos[ipos] >= allres[ipos].length && ipos > 0)
- {
- cpos[ipos] = 0;
- ipos--;
- }
- }
- } while (valid && cpos[0] < allres[0].length);
- if (valid)
- {
- // Add this to the set of codons we will translate
- // System.out.println("Adding ambiguity codon: " + _acodon + " for "
- // + residue);
- codonHash2.put(_acodon, residue);
- }
- else
- {
- // System.err.println("Rejecting ambiguity codon: " + _acodon
- // + " for " + residue);
- }
- // next combination
- ipos = acodon.length - 1;
- while (++tpos[ipos] >= acodon[ipos].length && ipos > 0)
- {
- tpos[ipos] = -1;
- ipos--;
- }
- }
- }
- }
-
// Stores residue codes/names and colours and other things
public static Map<String, Map<String, Integer>> propHash = new Hashtable<>();
public static String codonTranslate(String lccodon)
{
- String cdn = codonHash2.get(lccodon.toUpperCase());
- if ("*".equals(cdn))
+ String peptide = GeneticCodes.getInstance().getStandardCodeTable()
+ .translate(lccodon);
+ if ("*".equals(peptide))
{
- return STOP;
+ return "STOP";
}
- return cdn;
+ return peptide;
}
- public static Hashtable<String, String> toDssp3State;
+ /*
+ * lookup of (A-Z) alternative secondary structure symbols'
+ * equivalents in DSSP3 notation
+ */
+ private static char[] toDssp3State;
static
{
- toDssp3State = new Hashtable<>();
- toDssp3State.put("H", "H");
- toDssp3State.put("E", "E");
- toDssp3State.put("C", " ");
- toDssp3State.put(" ", " ");
- toDssp3State.put("T", " ");
- toDssp3State.put("B", "E");
- toDssp3State.put("G", "H");
- toDssp3State.put("I", "H");
- toDssp3State.put("X", " ");
+ toDssp3State = new char[9]; // for 'A'-'I'; extend if needed
+ Arrays.fill(toDssp3State, ' ');
+ toDssp3State['B' - 'A'] = 'E';
+ toDssp3State['E' - 'A'] = 'E';
+ toDssp3State['G' - 'A'] = 'H';
+ toDssp3State['H' - 'A'] = 'H';
+ toDssp3State['I' - 'A'] = 'H';
}
/**
* translate from other dssp secondary structure alphabets to 3-state
*
- * @param ssstring
- * @return ssstring as a three-state secondary structure assignment.
+ * @param ssString
+ * @return ssstring
*/
- public static String getDssp3state(String ssstring)
+ public static String getDssp3state(String ssString)
{
- if (ssstring == null)
+ if (ssString == null)
{
return null;
}
- StringBuffer ss = new StringBuffer();
- for (int i = 0; i < ssstring.length(); i++)
+ int lookupSize = toDssp3State.length;
+ int len = ssString.length();
+ char[] trans = new char[len];
+ for (int i = 0; i < len; i++)
{
- String ssc = ssstring.substring(i, i + 1);
- if (toDssp3State.containsKey(ssc))
+ char c = ssString.charAt(i);
+ int index = c - 'A';
+ if (index < 0 || index >= lookupSize)
{
- ss.append(toDssp3State.get(ssc));
+ trans[i] = ' ';
}
else
{
- ss.append(" ");
+ trans[i] = toDssp3State[index];
}
}
- return ss.toString();
+ return new String(trans);
}
static
git://source.jalview.org / jalview.git / blobdiff