X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fjmol%2FJmolParser.java;h=269fc31519b159d52450f4fbe49742743a698fb2;hb=51ff7ec3b6914f3c69b35e91e69d10c88aaf5270;hp=05c3f7a4c2af8ce6157c7c5157269bf4331847e6;hpb=c47a2af3da1aa257ecbb870b421c761e4acb7630;p=jalview.git diff --git a/src/jalview/ext/jmol/JmolParser.java b/src/jalview/ext/jmol/JmolParser.java index 05c3f7a..269fc31 100644 --- a/src/jalview/ext/jmol/JmolParser.java +++ b/src/jalview/ext/jmol/JmolParser.java @@ -37,18 +37,21 @@ import org.jmol.viewer.Viewer; import com.stevesoft.pat.Regex; +import jalview.bin.Console; +import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.Annotation; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; -import jalview.datamodel.annotations.AnnotationRowBuilder.AlphaFoldAnnotationRowBuilder; -import jalview.datamodel.annotations.AnnotationRowBuilder.AnnotationRowBuilder; +import jalview.datamodel.annotations.AlphaFoldAnnotationRowBuilder; +import jalview.datamodel.annotations.AnnotationRowBuilder; import jalview.io.DataSourceType; import jalview.io.FileParse; import jalview.io.StructureFile; import jalview.schemes.ResidueProperties; import jalview.util.Format; import jalview.util.MessageManager; +import jalview.ws.dbsources.EBIAlfaFold; import mc_view.Atom; import mc_view.PDBChain; import mc_view.Residue; @@ -278,6 +281,28 @@ public class JmolParser extends StructureFile implements JmolStatusListener createAnnotation(chainseq, chain, ms.at); } } + if (isAlphafoldModel()) + { + // TODO - work out how to handle different ways that pAE is provided + // + try + { + Console.info("retrieving pAE for " + pdbId); + Alignment al = new Alignment(prot.toArray(new SequenceI[0])); + EBIAlfaFold.retrieve_AlphaFold_pAE(pdbId, al, null); + if (al.getAlignmentAnnotation() != null) + { + for (AlignmentAnnotation alann : al.getAlignmentAnnotation()) + { + annotations.add(alann); + } + } + ; + } catch (Throwable t) + { + Console.error("Couldn't get the pAE for " + pdbId, t); + } + } } catch (OutOfMemoryError er) { System.out.println( @@ -442,8 +467,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener { try { - asecstr[p] = new Annotation(String.valueOf(secstr[p]), null, - secstrcode[p], Float.NaN); + asecstr[p] = new Annotation(null, null, secstrcode[p], Float.NaN); ssFound = true; } catch (Exception e) {