Subject: Re: CCL:Charmm DCD file format

From: Michael Hodgson <[email-masked]>
Date: Thu, 19 Nov 1998 11:50:45 +0000 (GMT)

> It contains C code to read/write binary DCD files on SGIs and
> HPs (the format is machine dependent).  The Amber group distributes

Is there an easy way of converting DCD files between machine architectures
?
I have a series of trajectory files written from CHARMM running on a linux
platform, and now wish to view the results on an sgi.  It strikes me that
this is a problem that must have been encountered (and hopefully solved)
before.

Many thanks in advance.

-Michael

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From: "Sergei F. Izrailev" <[email-masked]>
Date: Thu, 19 Nov 1998 19:01:31 -0500

> this is a problem that must have been encountered (and hopefully solved)

A utility called flipdcd is available from 
ftp://ftp.ks.uiuc.edu/pub/mdscope/namd2/bin/
as a part of NAMD2 distribution. See
http://www.ks.uiuc.edu/Research/namd/ for more
info on NAMD. 

This utility works fine for X-PLOR style dcd files. It will
revert the byte order in-place both ways depending on what 
architecture the file was written on. 

As far as I understand, is was planned to make the source code
available some time in the near future. 

Sincerely,

Sergei Izrailev
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