X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FAtom.java;h=904e3070c626cf00a1689be96aad34da9cdfbb0d;hb=17617d568de6620954c0616344f532bcaa4b57cd;hp=894984a630c12fdcfdc6fecb10e2f2c793318f18;hpb=612d6d9a9b5158a45c059e7448238a0b64bb2962;p=jalview.git diff --git a/src/MCview/Atom.java b/src/MCview/Atom.java index 894984a..904e307 100755 --- a/src/MCview/Atom.java +++ b/src/MCview/Atom.java @@ -20,6 +20,8 @@ */ package MCview; +import jalview.schemes.ResidueProperties; + import java.awt.Color; public class Atom @@ -73,11 +75,13 @@ public class Atom name = str.substring(12, 15).trim(); resName = str.substring(17, 20); + // JAL-1828 treat MSE Selenomethionine as MET (etc) + resName = ResidueProperties.getCanonicalAminoAcid(resName); chain = str.substring(21, 22); resNumber = Integer.parseInt(str.substring(22, 26).trim()); - resNumIns = str.substring(22, 27); + resNumIns = str.substring(22, 27).trim(); insCode = str.substring(26, 27).charAt(0); this.x = (new Float(str.substring(30, 38).trim()).floatValue()); this.y = (new Float(str.substring(38, 46).trim()).floatValue()); @@ -105,6 +109,24 @@ public class Atom } } + @Override + public boolean equals(Object that) + { + if (this == that || that == null) + { + return true; + } + if (that instanceof Atom) + { + Atom other = (Atom) that; + return other.resName.equals(this.resName) + && other.resNumber == this.resNumber + && other.resNumIns.equals(this.resNumIns) + && other.chain.equals(this.chain); + } + return false; + } + public Atom(float x, float y, float z) { this.x = x;