VMD-L Mailing List

From: Ben Roberts (Ben.P.Roberts_at_vcp.monash.edu.au)
Date: Thu Jan 20 2005 - 21:05:51 CST

Hi all,

I'm trying to write a script to automatically export a DCD trajectory
file as a series of PDB "frames".

At the moment I am using a "for" loop with an "animate write"
instruction at each frame. However, this leaves an open filehandle for
each frame, until the end (where it closes all of the filehandles) or it
runs out of memory (in which case it crashes), whichever happens first.

Is there a simple and effective "close" command I can use to close the
files for writing on the fly?

Any advice appreciated.

Thanks in advance,
Ben

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Benjamin P. Roberts, B.Sc.(Hons)
Ph.D. Student

Department of Medicinal Chemistry
Victorian College of Pharmacy (Monash University)
381 Royal Parade, Parkville VIC 3052, Australia

Phone +61 3 9903 9674 | Fax +61 3 9903 9582 | Mobile +61 401 784 940
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