testdata directory

[JudeBetow]

After installing the necessary tools and packages, I attempted running ./atomgrid-gen testdata/testdata.in
I received the the following message
failed to open: testdata/2HU4_A_r.pdbqt
Aborted
And also, the grid directory appears as grid*

Maybe I miss something or I don't know if it's because I am using Windows Subsystem for Linux to run the program.

[keisuke-yanagisawa]

I guess you do not modify the testdata/testgrid.in (not testdata/testdata.in, right?), but I am glad if you attach your testdata/testgrid.in here. Additionally, the list of content of directories I want to know. Can you share the results of ls -a . and ls -a testdata/?

[keisuke-yanagisawa]

The issue of asterisk * I cannot find any suggestion from stack overflow with 5-minutes googling...

[JudeBetow]

ls -a .
. .devcontainer .gitignore LICENSE README.md atomgrid-gen.log testdata
.. .git .vscode Makefile atomgrid-gen conformer-docking src

ls -a testdata/
. .. 2HU4_A_r.pdbqt G39.mol2 G39.sdf conformers.mol2 'grid'$'\r' testgrid.in

[JudeBetow]

The issue of asterisk * I cannot find any suggestion from stack overflow with 5-minutes googling...

on GUI it's actually a dot, but with the terminal it appears as 'grid'$'\r'

[keisuke-yanagisawa]

I see..., a possible reason is the difference of end-of-line characters. Can you use dos2unix? Or, git clone [email protected]:akiyamalab/restretto.git on your WSL (not on your Windows) may solve the problem

https://itslinuxfoss.com/fix-r-command-not-found-error/

[JudeBetow]

Ok I'll y give it a try. Thank you @keisuke-yanagisawa