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updated README
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dkatzel-ncats committed Oct 14, 2020
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<dependency>
<groupId>gov.nih.ncats</groupId>
<artifactId>molvec</artifactId>
<version>0.9.7</version>
<version>0.9.8</version>
</dependency>
```


```

## Example Usage: convert image into mol file format
```java
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## Async Support

MolVec supports asynchronous calls
```java
```java
CompleteableFuture<String> future = Molvec.ocrAsync( image);
String mol = future.get(5, TimeUnit.SECONDS);
```

## Support for producing molfile and SDfiles
Since version 0.9.8, Molvec has a more robust API that allows for creating both molfiles and SDfiles and adding properties to the SDfiles.

```java
MolvecOptions options = new MolvecOptions()
.setName(name)
.center(true)
.averageBondLength(2);

MolvecResult result = Molvec.ocr(f, options);

//write out a SDfile without any properties
String sdfile = result.getSDfile().get());

//create a map of key-value pairs and include as properties in an SDfile
Map<String, String> props = new HashMap<>();

props.put("File Name", f.getName());

String sdfileWithProperties = result.getSDfile(props).get();
```
## Commandline interface
The Molvec jar has a runnable Main class with the following options

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![Primitives](sample1.png)

## Publications that Mention Molvec
* [Rajan, K., Brinkhaus, H.O., Zielesny, A. et al. A review of optical chemical structure recognition tools.
J Cheminform 12, 60 (2020).](https://doi.org/10.1186/s13321-020-00465-0)


## How to Report Issues

You can report issues or feature requests either by creating issue tickets on our github page or
by forwarding questions and/or problems to [email protected].
by forwarding questions and/or problems to [[email protected]](mailto:[email protected])

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