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DLA-Ranker
DLA-Ranker
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383457f9
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383457f9
authored
Jun 06, 2022
by
DLA-Ranker
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@@ -58,8 +58,9 @@ the interfacial residues along with their neighboring atoms and the regions of t
#### Packages:
DLA-Ranker can be run on Linux, MacOS, and Windows. We recommend to use DLA-Ranker on the machines with GPU. It requires following packages:
-
[
NACCESS
]
(
http://www.bioinf.manchester.ac.uk/naccess/
)
-
[
FreeSASA
](
https://github.com/mittinatten/freesasa
)
or
[
NACCESS
]
(
http://www.bioinf.manchester.ac.uk/naccess/
)
-
[
ProDy
]
(
http://prody.csb.pitt.edu/
)
-
lz4 compression tool
-
Python version 3.7 or 3.8.
-
Tensorflow version 2.2 or 2.3.
-
Cuda-Toolkit
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@@ -107,7 +108,9 @@ Example
#### Processing the conformations
Specify the path to NACCESS in
```lib/tools.py```
(
```NACCESS_PATH```
). From directory 'Representation' run:
```python generate_cubes.py```
Specify the path to FreeSASA or NACCESS in
```lib/tools.py```
(
```FREESASA_PATH```
or
```NACCESS_PATH```
).
<br>
If you have 'Nvidia GPU' on your computer, or execute on 'Google COLAB', set
```FORCE_CPU = False```
. Otherwise set
```FORCE_CPU = True```
.
<br>
From directory 'Representation' run:
```python generate_cubes.py```
The output will be directory 'map_dir' with the following structure:
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