VMD-L Mailing List

From: Patrick Redmill (patrickredmill_at_gmail.com)
Date: Sun Oct 04 2009 - 21:48:27 CDT

Hi all,
I think this is an easy question, hope I'm right. I have an xyz trajectory,
and I wish to loop through each frame and save each frame as an individual
.pdb file (numbered 000.pdb, 001.pdb,002.pdb, ... etc.). I don't need any of
the extra connectivity data that comes with the pdb, just the format change.
This is easily done in the GUI with File > Save coordinates, but given that
I may be dealing with a few hundred frames, I'd like to automate it if
possible. Thanks in advance!

Patrick