Question

我想通过bash脚本在pymol控制台中运行命令。我该怎么办？下面是我的代码，但它不起作用。

#!/bin/bash
##
## PyMOL startup script
##

# Set PYMOL_PATH to point to this directory
export PYMOL_PATH="$(dirname "$(readlink -f "$0")")"

# other environment variables
export PYTHONHOME=$PYMOL_PATH/ext
export PYTHONPATH=$PYTHONHOME/lib/python2.7:$PYTHONHOME/lib/python2.7 /lib-tk:$PYTHONPATH
export LD_LIBRARY_PATH=$PYMOL_PATH/ext/lib:$LD_LIBRARY_PATH
export LANG=C

# binary executable
exec $PYMOL_PATH/pymol.exe "$@"
exec cmd.load("1a4g.pdb") 
exec cmd.quit()

Answer 1

您可以在bash脚本中创建一个PyMOL脚本：

it's impossible to cast an objet of type 'ASP.masterpage_master' to 'System.Web.UI.WebControls.CheckBox

或者，如果你想从pymol本身（PyMOL wiki）

中启动一个脚本

通过Bash脚本运行Pymol控制台命令

1 个答案: