35 lines
734 B
Markdown
35 lines
734 B
Markdown
# SIME
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HTML GUI for SIME and flask.
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## Setup
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For better results, create a conda environment and activate it like:
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```sh
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conda create -n SIME python
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```
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then:
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```sh
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conda activate SIME
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```
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Then install all needed dependencies from `requirements.txt` in the following way:
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```sh
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pip install -r requirements.txt
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```
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## How to Use
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Start Flask server :
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```sh
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python main.py
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```
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Then type the following line in your browser to load SIME software GUI.
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[localhost:5000](http://localhost:5000)
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Use the parameters as needed, and click **Submit** to generate your *in-silico* library of fully assembled macrolides.
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The resulting info file and smile file(s) will be found in LIBRARIES folder with the time stamp within the file names.
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