Bash脚本不执行指令

Question

Bash脚本不执行指令

我已经成功地执行了AutoDock Raccoon (www.Scripps.edua)前端，它允许父程序AutoDock将成批的配体停靠到蛋白质上。

一旦Raccoon被执行，就会运行一个bash脚本RunVS.sh，在列表中每个配体的子目录中顺序执行AutoDock。问题是这个脚本失败了。

comp@AbNormal:~/Apps/raccoon/Model/Acetylcholinesterase

/Test/Results$ ./RunVS.sh
        ________________________________________________________________
  __________//___________________________/////___________________/____________
  _________/__/__________________________/____/__________________/____________
  ________/____/___________/_____________/_____/_________________/____________
  ________/____/__/_____/_/////___/////__/_____/__/////___/////__/___/________
  _______/______/_/_____/__/_____/_____/_/_____/_/_____/_/_____/_/_//_________
  _______////////_/_____/__/_____/_____/_/_____/_/_____/_/_______//_/_________
  _______/______/_/____//__/___/_/_____/_/____/__/_____/_/_____/_/___/________
  _______/______/__////_/___///___/////__/////____/////___/////__/____/_______
        ________________________________________________________________
                                   ______
                                  /      \
                                 /        \
                                /          \   Raccoon
                                \    /\    /    Virtual
                                 \  /  \  /      Screening
                                  \/ /\ \/        Generator
                                   /\  \
                                 /\  \__\    version 1.0f
                                /  \__\
                               /____\

                 == Press ENTER to start the calculation ==

Docking Pralidoxime_apo-1acl ==================================
Running AutoDock...
[Removing grid maps]
         .
         .
         .
Docking Tabun_apo-1acl ==================================
Running AutoDock...
[Removing grid maps]
Calculation completed.

显然，每个子目录中的运行脚本run.sh都有问题。

#!/bin/bash
# Generated by AutoDock Raccoon
#
#
# Specify here the paths for the binaries, if necessary
# autodock = ''

    echo Running AutoDock...
    autodock4 -p "Acetylcholine_apo-1acl.dpf" -l "Acetylcholine_apo-1acl.dlg" 1>/dev/null 2>/dev/null

我可以在终端的每个子目录中运行以autodock4开头的代码行，但这相当于削弱了raccoon值。

我的解决方案是：

for d in $(cat ligand.list)
do
    echo $d'_apo-1acl'
    /home/comp/Apps/Autodock/autodock4 -p "$d'_apo-1acl'".dpf -l "$d'_apo-1acl'".dlg
done

这将导致：

./Run.ligand.list.sh
Acetylcholine_apo-1acl

/home/comp/Apps/Autodock/autodock4: can't find or open parameter file Acetylcholine'_apo-1acl'.dpf

/home/comp/Apps/Autodock/autodock4: Unsuccessful Completion.

      .
      .
      .

用于ligand.list的其余部分。

我已经尝试了不同的引号组合是脚本与相同的结果。

我遗漏了什么？

Answer 1

您至少有一个quoting问题- "$d'_apo-1acl'".dpf解析为d变量的内容，后跟一个单引号，然后是"_apo-1acl“，然后是另一个单引号。解决方案：

"${d}_apo-1acl.dpf"