X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fmc_view%2FPDBfile.java;h=2a89e61431fa3e19f92c8ab637e68d2c12f2550d;hb=519889be0d1e8f135123e6facab85b45410740cf;hp=0435def453e4f5fd5881f0118a99d7ebf65f46b1;hpb=1b98f7d9d004823a57b9e1c4e476123c2ea4a898;p=jalview.git diff --git a/src/mc_view/PDBfile.java b/src/mc_view/PDBfile.java index 0435def..2a89e61 100755 --- a/src/mc_view/PDBfile.java +++ b/src/mc_view/PDBfile.java @@ -20,6 +20,13 @@ */ package mc_view; +import java.io.IOException; +import java.util.ArrayList; +import java.util.Hashtable; +import java.util.List; +import java.util.Vector; + +import jalview.bin.Console; import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.DBRefSource; import jalview.datamodel.SequenceI; @@ -28,12 +35,6 @@ import jalview.io.FileParse; import jalview.io.StructureFile; import jalview.util.MessageManager; -import java.io.IOException; -import java.util.ArrayList; -import java.util.Hashtable; -import java.util.List; -import java.util.Vector; - public class PDBfile extends StructureFile { private static String CALC_ID_PREFIX = "JalviewPDB"; @@ -51,7 +52,9 @@ public class PDBfile extends StructureFile DataSourceType sourceType) throws IOException { super(false, dataObject, sourceType); + Console.debug("***** PDBfile constructor"); addSettings(addAlignmentAnnotations, predictSecStr, externalSecStr); + Console.debug("***** About to doParse() 1"); doParse(); } @@ -60,6 +63,7 @@ public class PDBfile extends StructureFile { super(false, source); addSettings(addAlignmentAnnotations, predictSecStr, externalSecStr); + Console.debug("***** About to doParse() 2"); doParse(); } @@ -143,17 +147,19 @@ public class PDBfile extends StructureFile } Atom tmpatom = new Atom(line); - try + if (tmpatom.resNumIns.trim().equals(lastID)) + { + // phosphorylated protein - seen both CA and P.. + continue; + } + tmpchain = findChain(tmpatom.chain); + if (tmpchain != null) { - tmpchain = findChain(tmpatom.chain); - if (tmpatom.resNumIns.trim().equals(lastID)) - { - // phosphorylated protein - seen both CA and P.. - continue; - } tmpchain.atoms.addElement(tmpatom); - } catch (Exception e) + } + else { + // PDBfile never handles alphafold models tmpchain = new PDBChain(getId(), tmpatom.chain); getChains().add(tmpchain); tmpchain.atoms.addElement(tmpatom);