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lingyuzeng
2024-03-06 18:05:41 +08:00
parent 3f8aa4a639
commit eaa1c6dd2b
1 changed files with 11 additions and 2 deletions
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@@ -11,6 +11,9 @@ conda create -n pyfastx modeller biopython pymol-open-source biopandas requests
# 绘图环境 统计test.py # 绘图环境 统计test.py
conda install -c conda-forge seaborn -y conda install -c conda-forge seaborn -y
pip install python-calamine pip install python-calamine
# 一条命令：
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
``` ```
modeller注册码：`MODELIRANJE` modeller注册码：`MODELIRANJE`
@@ -152,7 +155,7 @@ ___
------- -------
下面是多聚体修复记录: 下面是多聚体修复记录:
1mwa: D 链 116 117 动画缺失，实际不缺失 1mwa: B D 链 116 117 动画缺失，实际不缺失
3mbe: F链loop区域太多， 多聚体另外一部分结构缺失 3mbe: F链loop区域太多， 多聚体另外一部分结构缺失
@@ -177,4 +180,10 @@ cmd.select('sele', '4mji and (chain D or chain E or chain C or chain A or chain
cmd.save('C:/Users/lingyuzeng/Documents/newfix0123/multimer_polymeric_extra/3ffc.pdb', 'sele') cmd.save('C:/Users/lingyuzeng/Documents/newfix0123/multimer_polymeric_extra/3ffc.pdb', 'sele')
# 先提取单体之后尝试修复 # 多聚体58个
先提取单体之后尝试修复
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。
然后修复。