diff --git a/README.md b/README.md index e73ae37..3d5c0ee 100644 --- a/README.md +++ b/README.md @@ -15,7 +15,7 @@ scripts为一些脚本文件,主要是测试代码 ## 环境安装 ```shell -conda install -c conda-forge ffmpeg pymol-open-source biopython loguru +conda install -c conda-forge ffmpeg pymol-open-source biopython loguru ipython rdkit click -y ``` ## 最高质量渲染 @@ -161,3 +161,15 @@ animator.save_frames('frame1', 'frame2') 这会存储一个名为"MyScene"的场景,并附带一条消息。 +## Schrodinger_Suites linux install + +```shell +cd Schrodinger_Suites_2021-2_Linux-x86_64 +bash INSTALL (或者chmod u+x INSTALL ,之后 ./INSTALL ) +(接下来选安装路径,比如/home/laiguanxue/softwares/Schrodinger_Suites_2023) +(后面一路yes) +(将Crack/patcher拷贝到安装路径中) +chmod u+x schrodinger-2023-3-patcher-linux +./schrodinger-2023-3-patcher-linux +(之后选择破解的版本) +``` \ No newline at end of file diff --git a/pymol_color_plugin.py b/pymol_color_plugin.py index 3f83ef2..94f9556 100644 --- a/pymol_color_plugin.py +++ b/pymol_color_plugin.py @@ -220,6 +220,12 @@ def protgrey(selection='all'): #cmd.create(obj_name, f'byres (resn {resn} and chain {chain}) around {distance} or (resn {resn} and chain {chain})') # 选择resn的对象和resn对象周围3A的原子扩展至残基的原子 #cmd.hide('everything', 'all') #cmd.show('lines', obj_name) +# 选择所有核酸(DNA 或 RNA) +# select nucleic_acids, polymer.nucleic +# # 选择所有蛋白质 +# select proteins, polymer.protein +# # 锁定到链 +# select chainA_protein, polymer.protein and chain A cmd.extend('colorp',colorp) cmd.extend('method',method)