X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FPymolBindingModel.java;h=6aba7b6a6b4e31bca8cd4ed4639fe475378c8610;hb=35d4103a7cac775db1e4c6598d957ed28c4d3ff5;hp=538b101b22015f22a4099e08915eab15924fd132;hpb=2fb924ec0d110eb3ca6c3fb06efa27acd34b2750;p=jalview.git diff --git a/src/jalview/gui/PymolBindingModel.java b/src/jalview/gui/PymolBindingModel.java index 538b101..6aba7b6 100644 --- a/src/jalview/gui/PymolBindingModel.java +++ b/src/jalview/gui/PymolBindingModel.java @@ -6,7 +6,7 @@ import java.util.List; import java.util.Map; import jalview.api.AlignmentViewPanel; -import jalview.bin.Cache; +import jalview.bin.Console; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.ext.pymol.PymolCommands; @@ -70,15 +70,14 @@ public class PymolBindingModel extends AAStructureBindingModel public void highlightAtoms(List atoms) { /* - * https://pymolwiki.org/index.php/Label#examples + * https://pymolwiki.org/index.php/indicate#examples */ StringBuilder sb = new StringBuilder(); for (AtomSpec atom : atoms) { // todo promote to StructureCommandsI.showLabel() - // todo handle CA|P correctly String modelId = getModelIdForFile(atom.getPdbFile()); - sb.append(String.format(" %s//%s/%d/CA", modelId, + sb.append(String.format(" %s//%s/%d/*", modelId, atom.getChain(), atom.getPdbResNum())); } @@ -87,18 +86,9 @@ public class PymolBindingModel extends AAStructureBindingModel { return; } - StructureCommandI command = new StructureCommand("label", labelSpec, LABEL_FORMAT); + StructureCommandI command = new StructureCommand("indicate", labelSpec); executeCommand(command, false); - /* - * and remove the label(s) previously shown - */ - if (lastLabelSpec != null) - { - command = new StructureCommand("label", lastLabelSpec, ""); - executeCommand(command, false); - } - lastLabelSpec = labelSpec; } @@ -156,7 +146,7 @@ public class PymolBindingModel extends AAStructureBindingModel } else { - Cache.log.error("Failed to launch PyMOL!"); + Console.error("Failed to launch PyMOL!"); } return pymol != null; } @@ -171,6 +161,21 @@ public class PymolBindingModel extends AAStructureBindingModel * a second parameter sets the pdbid as the loaded PyMOL object name */ String pdbId = pe.getId(); + try { + String safePDBId = java.net.URLEncoder.encode(pdbId,"UTF-8"); + pdbId = safePDBId.replace('%', '_'); + pdbId = pdbId.replace("-", "__"); + char fc = pdbId.charAt(0); + // put an 's' before any numerics + if (fc>='0' && fc<='9') + { + pdbId = 's'+pdbId; + } +// pdbId.replace('-', 0) + } catch (Exception x) + { + Console.error("Unxpected encoding exception for '"+pdbId+"'",x); + } cmd.addParameter(pdbId); executeCommand(cmd, false);