18 lines
358 B
Markdown
Executable File
18 lines
358 B
Markdown
Executable File
# analysis_pdb
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## install environment
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```shell
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micromamba create -n modeller modeller biopython pymol-open-source biopandas requests ipython -y -c conda-forge -c salilab
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```
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modeller注册码：`MODELIRANJE``
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## test
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```shell
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cp pdb_test/5isz.pdb pdb_gjm/
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gmx_mpi pdb2gmx -f 5isz.pdb -o 5isz.gro -ff amber99sb-ildn -water tip3p -ignh -p topol.top
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``` |