tcltk-toolkitvmdvmdk

TCL script to go through all folders in a directory and perform a function

File structure

File1
 test.pdb
 xyz.txt

File2
 test.pdb
 xyz.txt

File3
 test.pdb
 xyz.txt

I want to loop in through all folders in the directory and run the following code which is in textfile autopsf.tcl on Tk console :

package require autopsf
mol new test.pdb
autopsf -mol 0

package require solvate  
solvate test_autopsf.psf test_autopsf.pdb -t 5 -o solvate

package require autoionize
autoionize -psf solvate.psf -pdb solvate.pdb -neutralize

I am running the following code at the moment :

for d in ./*/ ; do
source autopsf.tcl
done
Solution

  • This code worked for me:

    foreach file [glob -nocomplain "./*/"] {
cd $file
source autopsf.tcl
cd ..
}