X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fpymol%2FPymolCommands.java;fp=src%2Fjalview%2Fext%2Fpymol%2FPymolCommands.java;h=b8b6a98af71dc10e523b84cb7abfb47fc254e4cb;hb=3459a8a691cb22508d7067f240b7254e588e77d3;hp=b69d3e390c4007d0141da778d972da55e187518f;hpb=5b27f1062b2203c4c31702e205f4c78e1992063e;p=jalview.git diff --git a/src/jalview/ext/pymol/PymolCommands.java b/src/jalview/ext/pymol/PymolCommands.java index b69d3e3..b8b6a98 100644 --- a/src/jalview/ext/pymol/PymolCommands.java +++ b/src/jalview/ext/pymol/PymolCommands.java @@ -1,3 +1,23 @@ +/* + * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) + * Copyright (C) $$Year-Rel$$ The Jalview Authors + * + * This file is part of Jalview. + * + * Jalview is free software: you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation, either version 3 + * of the License, or (at your option) any later version. + * + * Jalview is distributed in the hope that it will be useful, but + * WITHOUT ANY WARRANTY; without even the implied warranty + * of MERCHANTABILITY or FITNESS FOR A PARTICULAR + * PURPOSE. See the GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public License + * along with Jalview. If not, see . + * The Jalview Authors are detailed in the 'AUTHORS' file. + */ package jalview.ext.pymol; import java.awt.Color; @@ -108,18 +128,20 @@ public class PymolCommands extends StructureCommandsBase public List superposeStructures(AtomSpecModel refAtoms, AtomSpecModel atomSpec, AtomSpecType specType) { - + // https://pymolwiki.org/index.php/Super List commands = new ArrayList<>(); - String refAtomsAlphaOnly = "("+getAtomSpec(refAtoms, specType)+" and (altloc '' or altloc 'a'))"; - String atomSpec2AlphaOnly = "("+getAtomSpec(atomSpec, specType)+" and (altloc '' or altloc 'a'))"; + String refAtomsAlphaOnly = "(" + getAtomSpec(refAtoms, specType) + + " and (altloc '' or altloc 'a'))"; + String atomSpec2AlphaOnly = "(" + getAtomSpec(atomSpec, specType) + + " and (altloc '' or altloc 'a'))"; // pair_fit mobile -> reference // crashes when undo is enabled on 2.5.2 (incentive) commands.add(new StructureCommand("undo_disable")); - commands.add(new StructureCommand("pair_fit", - atomSpec2AlphaOnly, refAtomsAlphaOnly)); + commands.add(new StructureCommand("pair_fit", atomSpec2AlphaOnly, + refAtomsAlphaOnly)); commands.add(new StructureCommand("undo_enable")); - + /* * and show superposed residues as cartoon */