From e72ca52bcd6f29843ad7b68ceabb52a434a14aa9 Mon Sep 17 00:00:00 2001
From: root <root@era-gmxmpi-92v3.101.svc.cluster.local>
Date: Thu, 18 Jan 2024 11:36:30 +0800
Subject: [PATCH] add record

---
 README.md | 32 ++++++++++++++++++++++++++++++--
 1 file changed, 30 insertions(+), 2 deletions(-)

diff --git a/README.md b/README.md
index d9483c8..3f30fea 100755
--- a/README.md
+++ b/README.md
@@ -5,7 +5,7 @@
 ## install environment
 
 ```shell
-micromamba create -n modeller modeller biopython pymol-open-source biopandas requests ipython ipykernel -y -c conda-forge -c salilab
+micromamba create -n modeller modeller biopython pymol-open-source biopandas requests ipython ipykernel pydantic -y -c conda-forge -c salilab
 # modeller注册码：MODELIRANJE (<conda_env>//lib/modeller-10.4/modlib/modeller/config.py)
 ```
 
@@ -16,4 +16,32 @@ modeller注册码：`MODELIRANJE``
 ```shell
 cp pdb_test/5isz.pdb pdb_gjm/
 gmx_mpi pdb2gmx -f 5isz.pdb -o 5isz.gro -ff amber99sb-ildn -water tip3p -ignh -p topol.top
-```
\ No newline at end of file
+```
+
+# 记录
+
+`7rtr` 对比序列太长，需要去除尾端
+
+无缺失：1bd2,
+
+`1d9k` 
+
+tcr: AB
+mhc CD
+peptide P 
+
+`1kj2` p周围只有三条链
+
+`3C5Z` `3C60` `3O6F` `3PL6` `3RDT` `4MAY` `4P4K` 没有peptide
+
+`3GJF` K、L链 空间位置不正确。
+
+`4z7u` 重叠，缺失链，tcr，hmc只有一半
+
+tcr: DE
+mhc I
+
+peptide Q
+
+``
+