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17 lines
530 B
Bash
Executable File
17 lines
530 B
Bash
Executable File
#!/bin/bash
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export LD_LIBRARY_PATH=$CONDA_PREFIX/lib:$LD_LIBRARY_PATH
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export LIBRARY_PATH=$CONDA_PREFIX/lib:$LIBRARY_PATH
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export FASTA_DIR=./fasta_dir
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export OUTPUT_DIR=./
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export PRECOMPUTED_ALIGNMENT_DIR=./alignments
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export MMCIF_DIR=/mmcifs # UPDATE with path to your mmcifs directory
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python3 run_pretrained_openfold.py $FASTA_DIR \
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$MMCIF_DIR \
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--output_dir $OUTPUT_DIR \
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--config_preset model_1_ptm \
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--model_device "cuda:0" \
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--data_random_seed 42 \
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--use_precomputed_alignments $PRECOMPUTED_ALIGNMENT_DIR
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