VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Jan 27 2016 - 03:12:33 CST

Sry, try

 

set files “file1.pdb file2.pdb file3.pdb”

foreach f $files {

               set mid [mol new $f]

               set sel [atomselect $mid all]

               $sel writerst7 “${f}.rst7”

               $sel delete

               mol delete $mid

}

 

Good luck

 

Norman Geist

 

Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von Akshay Bhatnagar
Gesendet: Mittwoch, 27. Januar 2016 05:40
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: tcl command to write amber format files

 

Hello

 

Is there a command in TCL through which i can convert pdb files to amber format through console as i want to do it for multiple files

With Regards

Akshay Bhatnagar

PhD Student

BITS Pilani Hyderabad Campus