35 lines
703 B
Markdown
35 lines
703 B
Markdown
# PKS Enumerator V2
|
|
|
|
HTML GUI for PKS enumerator V2 and flask.
|
|
|
|
## Setup
|
|
For better results, create a conda environment and activate it like:
|
|
|
|
```sh
|
|
conda create -n v2pks python
|
|
```
|
|
|
|
then:
|
|
```sh
|
|
conda activate v2pks
|
|
```
|
|
|
|
Then install all needed dependencies from `requirements.txt` in the following way:
|
|
```sh
|
|
pip install -r requirements.txt
|
|
```
|
|
|
|
## How to Use
|
|
Start Flask server :
|
|
```sh
|
|
python server.py
|
|
```
|
|
|
|
Then type the following link on the browser to load GUI.
|
|
|
|
[localhost:5000](http://localhost:5000)
|
|
|
|
Select the parameters according to what you need for your chemical library. Select Submit to generate.
|
|
|
|
The resulting files will found in LIBRARIES folder with the time stamp in the file names.
|