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Update README.md
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@gwirn
gwirn authored Feb 6, 2024
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Expand Up @@ -53,7 +53,7 @@ python3 d4_cmd_driver.py --query_name gb1 --alignment_file example/gb1_1000_expe
To make predictions for the variants `G1W` as well as `K42G,I24P` and get the predicted fitness score.

```sh
d4_predict.py --model_filepath result_files/saved_models/gb1None_10_01_2024_110517_end/ --protein_pdb example/gb1.pdb --alignment_file example/gb1_1000_experimental.clustal --query_name gb1 --variant_s G1W_K42G,I24P --wt_seq MQYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE --first_ind 0
python3 d4_predict.py --model_filepath result_files/saved_models/gb1None_10_01_2024_110517_end/ --protein_pdb example/gb1.pdb --alignment_file example/gb1_1000_experimental.clustal --query_name gb1 --variant_s G1W_K42G,I24P --wt_seq MQYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE --first_ind 0
```

If only positive scores should be shown, one can pipe the output through the following commands:
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