Commit 5d200298 authored by Carlos GO's avatar Carlos GO
Browse files

draw

parent 68994bab
......@@ -17,15 +17,20 @@ Data used for training, models and binding pocket visualizations available [here
* Networkx 2.1+
* BioPython
## Installing
## Sample Usage
## Building Pocket Graph Dataset
## Pocket Graph Drawing
```python
>>> G = nx.read_gpickle('../Data/sample_graphs/3ds7_GNG_P.nxpickle')
>>> H = nx.read_gpickle('../Data/sample_graphs/3skt_GNG_L.nxpickle')
>>> from RNAmigos import pocket_draw
>>> graph_draw(G, show=True)
```
![](images/pocket.png)
## Computing GED
......@@ -34,8 +39,6 @@ For a pair of graphs.
```python
>>> from RNAmigos import ged
>>> G = nx.read_gpickle('../Data/sample_graphs/3ds7_GNG_P.nxpickle')
>>> H = nx.read_gpickle('../Data/sample_graphs/3skt_GNG_L.nxpickle')
>>> graphs = (G, H) #graphs currently need to be pased as single argument for multiprocessing.
>>> aln, (G, H), time = ged(graphs)
>>> aln.cost # get distance
......@@ -57,6 +60,7 @@ Just pass the alignment object to the `graph_align` function.
## Graph Embedding
You can obtain a vector representation of a binding pocket by building your own prototype set, or by using our pre-built prototype sets.
## Fingerprint Prediction
......
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