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README.md
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README.md
@@ -11,6 +11,9 @@ conda create -n pyfastx modeller biopython pymol-open-source biopandas requests
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# 绘图环境 统计test.py
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conda install -c conda-forge seaborn -y
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pip install python-calamine
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# 一条命令:
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micromamba create -n pyfastx modeller biopython pymol-open-source biopandas requests ipython ipykernel pydantic pyfastx ipython pyfastx modeller biopython pymol-open-source biopandas requests ipython ipykernel pydantic pyfastx ipython seaborn python-calamine -y -c conda-forge -c salilab -c bioconda
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```
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modeller注册码:`MODELIRANJE`
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@@ -152,7 +155,7 @@ ___
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-------
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下面是多聚体修复记录:
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1mwa: D 链 116 117 动画缺失,实际不缺失
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1mwa: B D 链 116 117 动画缺失,实际不缺失
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3mbe: F链loop区域太多, 多聚体另外一部分结构缺失
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@@ -177,4 +180,10 @@ cmd.select('sele', '4mji and (chain D or chain E or chain C or chain A or chain
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cmd.save('C:/Users/lingyuzeng/Documents/newfix0123/multimer_polymeric_extra/3ffc.pdb', 'sele')
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# 先提取单体之后尝试修复
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# 多聚体58个
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先提取单体之后尝试修复
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根据TCR-pMHC4.xlsx的记录信息提取单体,然后复制到pdb_test7, 手动修改 5ks9、5ksb的 I链peptide的缺失问题。
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然后修复。
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