@@ -22,36 +22,36 @@ Here some example code how to load the biological assembly:
2222
2323``` java
2424
25- ` // good examples: 1stp 1gav 1hv4 1hho 7dfr 3fad 1qqp`
26-
27- ` // assembly 0 ... asym Unit`
28- ` // assembly 1 ... the first bio assembly`
29- ` // example 1fah has 2 assemblies (two copies of the assembly in asymmetric unit)`
30- ` `
31- ` `
32- ` // Various interesting symmetries: (see Lawson, 2008)`
33- ` // Circular - 1TJA`
34- ` // Dihedral - 1ei7`
35- ` // Icosahedral - 1a34`
36- ` // Helical - 1cgm`
37- ` `
38- ` `
39- ` // DNA 173D .. 2`
40- ` `
41- ` // we load the bio assembly info out of the PDB files`
42- ` BioUnitDataProviderFactory . setBioUnitDataProvider(BioUnitDataProviderFactory . pdbProviderClassName);`
43-
44- ` // Structure bioAssembly = StructureIO.getBiologicalAssembly("4A1I",2); `
45- ` `
46- ` Structure bioAssembly = StructureIO . getBiologicalAssembly(" 1ei7" ,1 );`
47- ` `
48- ` StructureAlignmentJmol jmolPanel = new StructureAlignmentJmol ();`
49- ` // jmolPanel.evalString("set autobond=false");`
50- ` jmolPanel. setStructure(bioAssembly);`
51-
52- ` // send some commands to Jmol`
53- ` jmolPanel. evalString(" select * ; color structure ; spacefill off; wireframe off; backbone off; cartoon on; select ligands ; spacefill 0.4; color cpk;" );`
54- ` `
55- ` System . out. println(" done!" );`
25+ // good examples: 1stp 1gav 1hv4 1hho 7dfr 3fad 1qqp
26+
27+ // assembly 0 ... asym Unit
28+ // assembly 1 ... the first bio assembly
29+ // example 1fah has 2 assemblies (two copies of the assembly in asymmetric unit)
30+
31+
32+ // Various interesting symmetries: (see Lawson, 2008)
33+ // Circular - 1TJA
34+ // Dihedral - 1ei7
35+ // Icosahedral - 1a34
36+ // Helical - 1cgm
37+
38+
39+ // DNA 173D .. 2
40+
41+ // we load the bio assembly info out of the PDB files
42+ BioUnitDataProviderFactory . setBioUnitDataProvider(BioUnitDataProviderFactory . pdbProviderClassName);
43+
44+ // Structure bioAssembly = StructureIO.getBiologicalAssembly("4A1I",2);
45+
46+ Structure bioAssembly = StructureIO . getBiologicalAssembly(" 1ei7" ,1 );
47+
48+ StructureAlignmentJmol jmolPanel = new StructureAlignmentJmol ();
49+ // jmolPanel.evalString("set autobond=false");
50+ jmolPanel. setStructure(bioAssembly);
51+
52+ // send some commands to Jmol
53+ jmolPanel. evalString(" select * ; color structure ; spacefill off; wireframe off; backbone off; cartoon on; select ligands ; spacefill 0.4; color cpk;" );
54+
55+ System . out. println(" done!" );
5656
5757```
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