I'm trying to speed up workflow in my lab and I'm basically just trying to ask whether the user already has a config or if it needs to be created, if yes it should move on, and if not then it should do what's in the if statement. However, when it reaches this if statement it crashes no matter how I've changed it. What's going wrong?
mkdir VinaOutput
set /P conf=Do you already have a config file? (Y/N)
echo %conf%
if /I "%conf%" EQU "N"(
set /P rec=Enter Receptor:
set /P ligand=Enter Ligand:
set /P cenX=Enter Center_X:
set /P cenY=Enter Center_Y:
set /P cenZ=Enter Center_Z:
set /P sizeX=Enter Size_X:
set /P sizeY=Enter Size_Y:
set /P sizeZ=Enter Size_Z:
echo receptor = %rec%.pdbqt > %CD%\VinaOutput\conf.txt
echo ligand = %ligand%.pdbqt >> %CD%\VinaOutput\conf.txt
echo center_x = %cenX% >> %CD%\VinaOutput\conf.txt
echo center_y = %cenY% >> %CD%\VinaOutput\conf.txt
echo center_z = %cenZ% >> %CD%\VinaOutput\conf.txt
echo size_x = %sizeX% >> %CD%\VinaOutput\conf.txt
echo size_y = %sizeY% >> %CD%\VinaOutput\conf.txt
echo size_z = %sizeZ% >> %CD%\VinaOutput\conf.txt
echo out = vina_output.pdbqt >> %CD%\VinaOutput\conf.txt
echo log = log.txt >> %CD%\VinaOutput\conf.txt
)
pause```
Aucun commentaire:
Enregistrer un commentaire