X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fdbsources%2FPdb.java;h=bb5c1659441b805e9db85eef87060b1b80091083;hb=57738a1f3c19b1c3a00bd3ac5108f8cd0af32f99;hp=68dda8862ff7240c56d012e4b47ef6f41445e1d1;hpb=2b6a2fdd887521f16ec777aab3126d6209f2a0a6;p=jalview.git diff --git a/src/jalview/ws/dbsources/Pdb.java b/src/jalview/ws/dbsources/Pdb.java index 68dda88..bb5c165 100644 --- a/src/jalview/ws/dbsources/Pdb.java +++ b/src/jalview/ws/dbsources/Pdb.java @@ -38,6 +38,7 @@ 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; @@ -141,12 +142,19 @@ public class Pdb extends EbiFileRetrievedProxy stopQuery(); return null; } + + /* + * 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 ext = pdbFileFormat.getExtension(); + String fetchFormat = pdbFileFormat.getFormat(); + EBIFetchClient ebi = new EBIFetchClient(); - file = ebi.fetchDataAsFile("pdb:" + id, pdbFileFormat.getFormat(), ext) - .getAbsolutePath(); + File tmpFile = ebi.fetchDataAsFile("pdb:" + id, fetchFormat, ext); + file = tmpFile.getAbsolutePath(); stopQuery(); if (file == null) { @@ -155,10 +163,9 @@ public class Pdb extends EbiFileRetrievedProxy try { // todo get rid of Type and use FileFormatI instead? - // todo get rid of "ext" and just use "tmp"? - FileFormatI fileFormat = pdbFileFormat == Type.PDB ? FileFormat.PDB + FileFormatI fileFormat = (pdbFileFormat == Type.PDB) ? FileFormat.PDB : FileFormat.MMCif; - pdbAlignment = new FormatAdapter().readFile(file, + pdbAlignment = new FormatAdapter().readFile(tmpFile, DataSourceType.FILE, fileFormat); if (pdbAlignment != null) { @@ -175,15 +182,14 @@ public class Pdb extends EbiFileRetrievedProxy } } - if (chain == null - || (chid != null && (chid.equals(chain) - || chid.trim().equals(chain.trim()) || (chain - .trim().length() == 0 && chid.equals("_"))))) + if (chain == null || (chid != null && (chid.equals(chain) + || chid.trim().equals(chain.trim()) + || (chain.trim().length() == 0 && chid.equals("_"))))) { // 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 /* @@ -229,8 +235,8 @@ public class Pdb extends EbiFileRetrievedProxy if (pdbAlignment == null || pdbAlignment.getHeight() < 1) { throw new Exception(MessageManager.formatMessage( - "exception.no_pdb_records_for_chain", new String[] { id, - ((chain == null) ? "' '" : chain) })); + "exception.no_pdb_records_for_chain", new String[] + { id, ((chain == null) ? "' '" : chain) })); } } catch (Exception ex) // Problem parsing PDB file