X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fdbsources%2FPdb.java;h=982c399a62b7aeab93cd37ed9cac6bcc679682bb;hb=51728d3951398f9c12d7017c776953f17322cc68;hp=a50ed143888938e947a845a1007f549e719acbee;hpb=5d7968c49365f35b490ca101b838c998df0df675;p=jalview.git diff --git a/src/jalview/ws/dbsources/Pdb.java b/src/jalview/ws/dbsources/Pdb.java index a50ed14..982c399 100644 --- a/src/jalview/ws/dbsources/Pdb.java +++ b/src/jalview/ws/dbsources/Pdb.java @@ -29,12 +29,16 @@ import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; import jalview.datamodel.PDBEntry.Type; import jalview.datamodel.SequenceI; +import jalview.io.DataSourceType; +import jalview.io.FileFormat; +import jalview.io.FileFormatI; import jalview.io.FormatAdapter; import jalview.io.PDBFeatureSettings; import jalview.structure.StructureImportSettings; import jalview.util.MessageManager; import jalview.ws.ebi.EBIFetchClient; +import java.io.File; import java.util.ArrayList; import java.util.List; @@ -47,9 +51,10 @@ import com.stevesoft.pat.Regex; public class Pdb extends EbiFileRetrievedProxy { private static final String SEPARATOR = "|"; + private static final String COLON = ":"; - private static final int PDB_ID_LENGTH = 4; + private static final int PDB_ID_LENGTH = 4; public Pdb() { @@ -137,13 +142,19 @@ public class Pdb extends EbiFileRetrievedProxy stopQuery(); return null; } - String ext = StructureImportSettings.getDefaultStructureFileFormat() - .equalsIgnoreCase(Type.MMCIF.toString()) ? ".cif" : ".xml"; + + /* + * ensure that an mmCIF format structure file is saved with extension.cif, + * because the Chimera "open" command recognises this extension + */ + Type pdbFileFormat = StructureImportSettings + .getDefaultStructureFileFormat(); + String ext = pdbFileFormat.getExtension(); + String fetchFormat = pdbFileFormat.getFormat(); + EBIFetchClient ebi = new EBIFetchClient(); - file = ebi.fetchDataAsFile("pdb:" + id, - StructureImportSettings.getDefaultStructureFileFormat().toLowerCase(), - ext) - .getAbsolutePath(); + File tmpFile = ebi.fetchDataAsFile("pdb:" + id, fetchFormat, ext); + file = tmpFile.getAbsolutePath(); stopQuery(); if (file == null) { @@ -151,10 +162,11 @@ public class Pdb extends EbiFileRetrievedProxy } try { - + // todo get rid of Type and use FileFormatI instead? + FileFormatI fileFormat = (pdbFileFormat == Type.PDB) ? FileFormat.PDB + : FileFormat.MMCif; pdbAlignment = new FormatAdapter().readFile(file, - jalview.io.AppletFormatAdapter.FILE, - StructureImportSettings.getDefaultStructureFileFormat()); + DataSourceType.FILE, fileFormat); if (pdbAlignment != null) { List toremove = new ArrayList(); @@ -177,8 +189,8 @@ public class Pdb extends EbiFileRetrievedProxy { // FIXME seems to result in 'PDB|1QIP|1qip|A' - 1QIP is redundant. // TODO: suggest simplify naming to 1qip|A as default name defined - pdbcs.setName(jalview.datamodel.DBRefSource.PDB + SEPARATOR + id - + SEPARATOR + pdbcs.getName()); + pdbcs.setName(jalview.datamodel.DBRefSource.PDB + SEPARATOR + + id + SEPARATOR + pdbcs.getName()); // Might need to add more metadata to the PDBEntry object // like below /* @@ -269,7 +281,6 @@ public class Pdb extends EbiFileRetrievedProxy return 0; } - /** * Returns a descriptor for suitable feature display settings with *