lingyuzeng/analysis_pdb

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hotwa baaf63f83a add cores args

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update to env path

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.gitignore

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analysis_pdb.py

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build_modellel.py

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build_modeller.py

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md_gromacs.sh

add cores args

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md_gromacs.sh.bak

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process_trajectory.py

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process_xtc.sh

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README.md

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runner.py

singler process, singler gpu

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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``