From: Jim Procter Date: Mon, 14 Feb 2022 22:58:01 +0000 (+0000) Subject: JAL-3551 X-Git-Tag: Release_2_11_2_0~10^2~8 X-Git-Url: http://source.jalview.org/gitweb/?p=jalview.git;a=commitdiff_plain;h=9a0e474e892cfd6978931854572965bbf88f8a31 JAL-3551 --- diff --git a/src/jalview/ext/pymol/PymolCommands.java b/src/jalview/ext/pymol/PymolCommands.java index 36957f5..652682a 100644 --- a/src/jalview/ext/pymol/PymolCommands.java +++ b/src/jalview/ext/pymol/PymolCommands.java @@ -110,10 +110,11 @@ public class PymolCommands extends StructureCommandsBase { // https://pymolwiki.org/index.php/Super List commands = new ArrayList<>(); - String refAtomsAlphaOnly = getAtomSpec(refAtoms, true); - String atomSpec2AlphaOnly = getAtomSpec(atomSpec, true); - commands.add(new StructureCommand("super", refAtomsAlphaOnly, - atomSpec2AlphaOnly)); + String refAtomsAlphaOnly = "("+getAtomSpec(refAtoms, true)+" and (altloc '' or altloc 'a'))"; + String atomSpec2AlphaOnly = "("+getAtomSpec(atomSpec, true)+" and (altloc '' or altloc 'a'))"; + // pair_fit mobile -> reference + commands.add(new StructureCommand("pair_fit", + atomSpec2AlphaOnly, refAtomsAlphaOnly)); /* * and show superposed residues as cartoon