public class ResidueProperties
{
+ // alphabet names used in Hidden Markov Model files
+ public static final String ALPHABET_RNA = "RNA";
+
+ public static final String ALPHABET_DNA = "DNA";
+
+ public static final String ALPHABET_AMINO = "amino";
+
// Stores residue codes/names and colours and other things
public static final int[] aaIndex; // aaHash version 2.1.1 and below
// lookup from modified amino acid (e.g. MSE) to canonical form (e.g. MET)
public static final Map<String, String> modifications = new HashMap<>();
- // amino acid background Frequencies
- public static final Map<Character, Float> aminoBackgroundFrequencies = new HashMap<>();
-
- // nucleotide background Frequencies
- public static final Map<Character, Float> nucleotideBackgroundFrequencies = new HashMap<>();
+ // residue background frequencies across different alphabets
+ public static final Map<String, Map<Character, Float>> backgroundFrequencies = new HashMap<>();
static
{
};
// Added for PurinePyrimidineColourScheme
- public static final Color[] purinepyrimidine = {
- new Color(255, 131, 250), // A, G, R purines purplish/orchid
+ public static final Color[] purinepyrimidine = { new Color(255, 131, 250), // A,
+ // G,
+ // R
+ // purines
+ // purplish/orchid
new Color(64, 224, 208), // C,U, T, Y pyrimidines turquoise
Color.white, // all other nucleotides
Color.white // Gap
Color.green, // Q
Color.red, // E
Color.magenta, // G
- midBlue,// Color.red, // H
+ midBlue, // Color.red, // H
Color.pink, // I
Color.pink, // L
midBlue, // K
0.0 // X
};
- public static final double[] helix = { 1.42, 0.98, 0.67, 1.01, 0.70,
- 1.11, 1.51, 0.57, 1.00, 1.08, 1.21, 1.16, 1.45, 1.13, 0.57, 0.77,
- 0.83, 1.08, 0.69, 1.06, 0.84, 1.31, 1.00, 0.0 };
+ public static final double[] helix = { 1.42, 0.98, 0.67, 1.01, 0.70, 1.11,
+ 1.51, 0.57, 1.00, 1.08, 1.21, 1.16, 1.45, 1.13, 0.57, 0.77, 0.83,
+ 1.08, 0.69, 1.06, 0.84, 1.31, 1.00, 0.0 };
public static final double helixmin = 0.57;
public static final double turnmax = 1.56;
- public static final double[] buried = { 1.7, 0.1, 0.4, 0.4, 4.6, 0.3,
- 0.3, 1.8, 0.8, 3.1, 2.4, 0.05, 1.9, 2.2, 0.6, 0.8, 0.7, 1.6, 0.5,
- 2.9, 0.4, 0.3, 1.358, 0.00 };
+ public static final double[] buried = { 1.7, 0.1, 0.4, 0.4, 4.6, 0.3, 0.3,
+ 1.8, 0.8, 3.1, 2.4, 0.05, 1.9, 2.2, 0.6, 0.8, 0.7, 1.6, 0.5, 2.9, 0.4,
+ 0.3, 1.358, 0.00 };
public static final double buriedmin = 0.05;
* Color.white, // R Color.white, // Y Color.white, // N Color.white, // Gap
*/
- public static List<String> STOP = Arrays.asList("TGA", "TAA", "TAG");
+ public static String STOP = "STOP";
+
+ public static List<String> STOP_CODONS = Arrays.asList("TGA", "TAA", "TAG");
public static String START = "ATG";
}
else
{
- System.err
- .println("Inconsistency in the IUBMB ambiguity code nomenclature table: collision for "
+ 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()]);
+ String[] unambcodons = codonHash2.keySet()
+ .toArray(new String[codonHash2.size()]);
for (String codon : unambcodons)
{
String residue = codonHash2.get(codon);
}
}
// enumerate all combinations and test for veracity of translation
- int tpos[] = new int[codon.length()], cpos[] = new int[codon.length()];
+ int tpos[] = new int[codon.length()],
+ cpos[] = new int[codon.length()];
for (int i = 0; i < tpos.length; i++)
{
tpos[i] = -1;
charged.put("Q", ZERO);
charged.put("D", ONE);
charged.put("N", ZERO); // Asparagine is polar but not
- // charged.
+ // charged.
// Alternative would be charged and
// negative (in basic form)?
charged.put("S", ZERO);
}
static
{
- int[][] propMatrixF = new int[maxProteinIndex][maxProteinIndex], propMatrixPos = new int[maxProteinIndex][maxProteinIndex], propMatrixEpos = new int[maxProteinIndex][maxProteinIndex];
+ int[][] propMatrixF = new int[maxProteinIndex][maxProteinIndex],
+ propMatrixPos = new int[maxProteinIndex][maxProteinIndex],
+ propMatrixEpos = new int[maxProteinIndex][maxProteinIndex];
for (int i = 0; i < maxProteinIndex; i++)
{
int maxF = 0, maxP = 0, maxEP = 0;
String cdn = codonHash2.get(lccodon.toUpperCase());
if ("*".equals(cdn))
{
- return "STOP";
+ return STOP;
}
return cdn;
}
static
{
- aminoBackgroundFrequencies.put('A', 0.0826f);
- aminoBackgroundFrequencies.put('Q', 0.0393f);
- aminoBackgroundFrequencies.put('L', 0.0965f);
- aminoBackgroundFrequencies.put('S', 0.0661f);
- aminoBackgroundFrequencies.put('R', 0.0553f);
- aminoBackgroundFrequencies.put('E', 0.0674f);
- aminoBackgroundFrequencies.put('K', 0.0582f);
- aminoBackgroundFrequencies.put('T', 0.0535f);
- aminoBackgroundFrequencies.put('N', 0.0406f);
- aminoBackgroundFrequencies.put('G', 0.0708f);
- aminoBackgroundFrequencies.put('M', 0.0241f);
- aminoBackgroundFrequencies.put('W', 0.0109f);
- aminoBackgroundFrequencies.put('D', 0.0546f);
- aminoBackgroundFrequencies.put('H', 0.0227f);
- aminoBackgroundFrequencies.put('F', 0.0386f);
- aminoBackgroundFrequencies.put('Y', 0.0292f);
- aminoBackgroundFrequencies.put('C', 0.0137f);
- aminoBackgroundFrequencies.put('I', 0.0593f);
- aminoBackgroundFrequencies.put('P', 0.0472f);
- aminoBackgroundFrequencies.put('V', 0.0686f);
+ Map<Character, Float> amino = new HashMap<>();
+ amino.put('A', 0.0826f);
+ amino.put('Q', 0.0393f);
+ amino.put('L', 0.0965f);
+ amino.put('S', 0.0661f);
+ amino.put('R', 0.0553f);
+ amino.put('E', 0.0674f);
+ amino.put('K', 0.0582f);
+ amino.put('T', 0.0535f);
+ amino.put('N', 0.0406f);
+ amino.put('G', 0.0708f);
+ amino.put('M', 0.0241f);
+ amino.put('W', 0.0109f);
+ amino.put('D', 0.0546f);
+ amino.put('H', 0.0227f);
+ amino.put('F', 0.0386f);
+ amino.put('Y', 0.0292f);
+ amino.put('C', 0.0137f);
+ amino.put('I', 0.0593f);
+ amino.put('P', 0.0472f);
+ amino.put('V', 0.0686f);
+ backgroundFrequencies.put(ALPHABET_AMINO, amino);
+ // todo: these don't match https://www.ebi.ac.uk/uniprot/TrEMBLstats - what
+ // are they?
+ }
+
+ // TODO get correct frequencies
+
+ static
+ {
+ Map<Character, Float> dna = new HashMap<>();
+ dna.put('A', 0.25f);
+ dna.put('C', 0.25f);
+ dna.put('T', 0.25f);
+ dna.put('G', 0.25f);
+ backgroundFrequencies.put(ALPHABET_DNA, dna);
}
static
{
- nucleotideBackgroundFrequencies.put('A', 0.25f);
- nucleotideBackgroundFrequencies.put('C', 0.25f);
- nucleotideBackgroundFrequencies.put('T', 0.25f);
- nucleotideBackgroundFrequencies.put('G', 0.25f);
+ Map<Character, Float> rna = new HashMap<>();
+ rna.put('A', 0.25f);
+ rna.put('C', 0.25f);
+ rna.put('T', 0.25f);
+ rna.put('G', 0.25f);
+ backgroundFrequencies.put(ALPHABET_RNA, rna);
}
{
return '0';
}
- Integer index = ResidueProperties.aa3Hash.get(threeLetterCode
- .toUpperCase());
+ Integer index = ResidueProperties.aa3Hash
+ .get(threeLetterCode.toUpperCase());
return index == null ? '0' : aa[index].charAt(0);
}
}
git://source.jalview.org / jalview.git / blobdiff