Subject: Re: CCL:Biosym and Trajectory files

From: [email-masked] (Dr. David N. Haney)
Date: Fri, 24 May 1996 06:37:58 -0800 (PDT)

"G. Ravishanker" <[email-masked]> wrote:

>         I am curious to know if there are public domain or Biosym supplied
> tools to convert CHARMM DCD files or Amber cor files so that the trajectory
> can be viewed using insightII software. Thanks in advance.

Some time ago Abdelaziz Yasri <[email-masked]> wrote about
his fortran program that converts AMBER trajectory (from .top and .mdcrd
files) to Biosym trajectory (.arc files).  This program only works 
on AMBER formatted trajectory files, and as I recall you lose the energy
info which can exist in a Biosym .arc file.

Alternatively there is a program, VMD,  from the Theoretical Biophysics Group 
at the University of Illinois,

	ftp://ftp.ks.uiuc.edu/pub/mdscope/vmd/

which can read AMBER and CHARMM trajectories and display the results 
(this does not help you do your analysis in InsightII if that is your goal).  
Another such program is available from the Center for Scientific Computing 
in FINLAND, although it is less freely available,

	http://www.csc.fi/lul/chem/scarecrow/jmg_scare.html

Your best bet may be to wait for the merged Biosym/MSI to come up with the 
tool for dealing with CHARMM .dcd files.

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