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Use default file format (MMTF) for QuatSymmetry test and demo
1 parent 19f64ca commit ad910d5

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2 files changed

+2
-5
lines changed

2 files changed

+2
-5
lines changed

biojava-structure-gui/src/main/java/demo/DemoOrientBioAssembly.java

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -47,7 +47,7 @@ public static void main(String[] args){
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//String[] pdbIDs = new String[]{"4HHB","4AQ5","1LTI","1STP","4F88","2W6E","2LXC","3OE7","4INU","4D8s","4EAR","4IYQ","3ZKR"};
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50-
String[] pdbIDs = new String[]{"4x2s"};
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String[] pdbIDs = new String[]{"4hhb"};
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int bioAssemblyNr = 1;
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@@ -218,7 +218,7 @@ private static void showResults(Structure s, String title,
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private static Structure readStructure(String pdbId, int bioAssemblyId) {
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// initialize the PDB_DIR env variable
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AtomCache cache = new AtomCache();
221-
cache.setUseMmCif(true);
221+
//cache.setUseMmCif(true);
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FileParsingParameters params = new FileParsingParameters();
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params.setParseCAOnly(true);

biojava-structure/src/test/java/org/biojava/nbio/structure/symmetry/core/TestQuatSymmetryDetection.java

Lines changed: 0 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -50,7 +50,6 @@ public void test1b4c() throws Exception {
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params.setParseBioAssembly(true);
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params.setAlignSeqRes(true);
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AtomCache cache = new AtomCache();
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cache.setUseMmCif(true);
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cache.setFileParsingParams(params);
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StructureIO.setAtomCache(cache);
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Structure pdb = StructureIO.getStructure("1b4c");
@@ -73,7 +72,6 @@ public void test4hhb() throws Exception {
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params.setAlignSeqRes(true);
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AtomCache cache = new AtomCache();
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cache.setFileParsingParams(params);
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cache.setUseMmCif(true);
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StructureIO.setAtomCache(cache);
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Structure pdb = StructureIO.getStructure("4hhb");
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String[] symmetries = getSymmetry(pdb, 1);
@@ -94,7 +92,6 @@ public void test4p2c() throws IOException, StructureException {
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params.setAlignSeqRes(true);
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AtomCache cache = new AtomCache();
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cache.setFileParsingParams(params);
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cache.setUseMmCif(true);
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StructureIO.setAtomCache(cache);
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Structure pdb = StructureIO.getStructure("4p2c");
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String[] symmetries = getSymmetry(pdb, 1);

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