lingyuzeng/analysis_pdb

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hotwa 0e2cdb3dc5 update

2023-12-04 16:53:57 +08:00

add TCR-pHMC pdb file

2023-12-04 09:13:40 +08:00

.gitignore

add

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analysis_pdb.py

init

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build_modellel.py

init

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build_modeller.py

init

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md_gromacs.sh

update

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process_xtc.sh

update

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README.md

update

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runner.py

add python execute

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README.md

analysis_pdb

install environment

micromamba create -n modeller modeller biopython pymol-open-source biopandas requests ipython -y -c conda-forge -c salilab

modeller注册码：`MODELIRANJE``

nohup

nohup python runner.py &

rename

sudo apt install rename -y
rename -n 's/\.modellerfix//' *.modellerfix.pdb