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Merge branch 'master' into alter_data_struct
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abradle committed Apr 13, 2016
2 parents 5a23868 + b09bc3a commit 8f43dba
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12 changes: 7 additions & 5 deletions README.md
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Expand Up @@ -11,13 +11,15 @@ This repository holds the Java API, encoding and decoding libraries. Along with

The alpha release is available on Maven central.

```<groupId>org.rcsb</groupId>
```xml
<groupId>org.rcsb</groupId>
<artifactId>mmtf-decoder</artifactId>
<packaging>pom</packaging>
<version>0.0.1-alpha3</version>
```

```<groupId>org.rcsb</groupId>
```xml
<groupId>org.rcsb</groupId>
<artifactId>mmtf-api</artifactId>
<packaging>pom</packaging>
<version>0.0.1-alpha3</version>
Expand All @@ -29,19 +31,19 @@ Or you can clone this repo and install yourself.
Quick getting started.

1) Get the data for a PDB structure and print the number of chains:
```
```java
HandleIO handleIO = new HandleIO();
DataApiInterface dataApi = handleIO.getDataApiFromUrlOrFile("4cup");
System.out.println("PDB Code: "+dataApi.getPdbId()+" has "+dataApi.getNumChains()+" chains");
```

2) Show the charge information for the first group:
```
```java
PDBGroup pdbGroup = dataApi.getGroupMap().get(0);
System.out.println("HET group "+pdbGroup.getGroupName()+" has the following atomic charges: "+pdbGroup.getAtomCharges());
```

3) Show how many bioassemblies it has:
```
```java
System.out.println("PDB Code: "+dataApi.getPdbId()+" has "+dataApi.getBioAssembly().size()+" bioassemblies");
```

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