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最近跑ALPHAFOLD3，发现149KF全面强于7950X，是在没想到，测试用的JSON附上，有兴趣可以跑跑。
JSON如下：
{
"name": "AziU2_AziU3_pred",
"modelSeeds": [1],
"sequences": [
{
"protein": {
"id": ["A", "B"],
"sequence": "MTHVAETSAPTRSEPDTRVLTLPGTASAPEFRLIDIDGLLNNRATTDVRDLGSGRLNAWGNSFPAAELPAPGSLITVAGIPFTWANAHARGDNIRCEGQVVDIPPGQYDWIYLLAASERRSEDTIWAHYDDGHADPLRVGISDFLDGTPAFGELSAFRTSRMHYPHHVQEGLPTTMWLTRVGMPRHGVARSLRLPRSVAMHVFALTLRTAAAVRLAEGATT"
}
},
{
"protein": {
"id": ["C", "D"],
"sequence": "MTTTAPPVELWTRDLGSCLHGTLATALIRDGHDPVTVLGAPWEFRRRPGAWSSEEYFFFAEPDSLAGRLALYHPFESTWHRSDGDGVDDLREALAAGVLPIAAVDNFHLPFRPAFHDVHAAHLLVVYRITETEVYVSDAQPPAFQGAIPLADFLASWGSLNPPDDADVFFSASPSGRRWLRTRMTGPVPEPDRHWVGRVIRENVARYRQEPPADTQTGLPGLRRYLDELCALTPGTNAASEALSELYVISWNIQAQSGLHAEFLRAHSVKWRIPELAEAAAGVDAVAHGWTGVRMTGAHSRVWQRHRPAELRGHATALVRRLEAALDLLELAADAVS"
}
},
{
"ligand": {
"id": ["E", "F"],
"ccdCodes": ["6OI"]
}
}
],
"dialect": "alphafold3",
"version": 1
}
bash shell如下：
#!/bin/bash
ALPHAFOLD3DIR="/your path/alphafold3"
HMMER3_BINDIR="/your path/hmmer/3.4/bin"
DB_DIR="/your path/database/public_databases"
MODEL_DIR="/your path/alphafold3/models"
python ${ALPHAFOLD3DIR}/run_alphafold.py \
--jackhmmer_binary_path="${HMMER3_BINDIR}/jackhmmer" \
--nhmmer_binary_path="${HMMER3_BINDIR}/nhmmer" \
--hmmalign_binary_path="${HMMER3_BINDIR}/hmmalign" \
--hmmsearch_binary_path="${HMMER3_BINDIR}/hmmsearch" \
--hmmbuild_binary_path="${HMMER3_BINDIR}/hmmbuild" \
--max_template_date="2099-12-31" \
--db_dir="${DB_DIR}" \
--model_dir=${MODEL_DIR} \
--json_path="/your path/alphafold3/input/Un2.json" \
--output_dir="/your path/alphafold3/output" |
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310112100042806
发表于 2025-7-2 14:52
