X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FAtom.java;h=b2fb5f520b1fba5396712fc48a3884ee612411ba;hb=17e77c3f2949a0729322b4a8d907f3f34b6a9914;hp=b600bc96d378d248637269f87dc88a83e9716686;hpb=ad15cff29620f960119f80176f1fd443da9f6763;p=jalview.git diff --git a/src/MCview/Atom.java b/src/MCview/Atom.java index b600bc9..b2fb5f5 100755 --- a/src/MCview/Atom.java +++ b/src/MCview/Atom.java @@ -1,6 +1,6 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) - * Copyright (C) $$Year-Rel$$ The Jalview Authors + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9) + * Copyright (C) 2015 The Jalview Authors * * This file is part of Jalview. * @@ -20,7 +20,9 @@ */ package MCview; -import java.awt.*; +import jalview.schemes.ResidueProperties; + +import java.awt.Color; public class Atom { @@ -73,20 +75,22 @@ 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); insCode = str.substring(26, 27).charAt(0); - this.x = (float) (new Float(str.substring(30, 38).trim()).floatValue()); - this.y = (float) (new Float(str.substring(38, 46).trim()).floatValue()); - this.z = (float) (new Float(str.substring(47, 55).trim()).floatValue()); + this.x = (new Float(str.substring(30, 38).trim()).floatValue()); + this.y = (new Float(str.substring(38, 46).trim()).floatValue()); + this.z = (new Float(str.substring(47, 55).trim()).floatValue()); // optional entries - see JAL-730 String tm = str.substring(54, 60).trim(); if (tm.length() > 0) { - occupancy = (float) (new Float(tm)).floatValue(); + occupancy = (new Float(tm)).floatValue(); } else { @@ -96,7 +100,7 @@ public class Atom tm = str.substring(60, 66).trim(); if (tm.length() > 0) { - tfactor = (float) (new Float(tm).floatValue()); + tfactor = (new Float(tm).floatValue()); } else { @@ -111,7 +115,4 @@ public class Atom this.y = y; this.z = z; } - // public void setColor(Color col) { - // this.color = col; - // } }