VMD-L Mailing List

From: root (root_at_liposome.genebee.msu.su)
Date: Thu Jan 08 1998 - 12:41:23 CST

---------- Forwarded message ----------
Date: Thu, 8 Jan 1998 13:50:36 +0100
From: Konrad Hinsen <hinsen_at_ibs.ibs.fr>
To: root_at_liposome.genebee.msu.su
Cc: chemistry_at_infomeister.osc.edu
Subject: Re: CCL:md rookie update

> The dcd trajectory format is machine-dependant; there is a other-endian
> filter out there which I haven't been able to get to work, however.

The Molecular Modelling Toolkit (MMTK), available at
http://starship.skyport.net/crew/hinsen/mmtk.html, allows conversion
of DCD files into machine-independent netCDF files. The inverse
conversion is not yet implemented, but MMTK contains plenty of
analysis functions to do whatever you want with the netCDF trajectory
files. 

-- 
-------------------------------------------------------------------------------
Konrad Hinsen                          | E-Mail: hinsen_at_ibs.ibs.fr
Laboratoire de Dynamique Moleculaire   | Tel.: +33-4.76.88.99.28
Institut de Biologie Structurale       | Fax:  +33-4.76.88.54.94
41, av. des Martyrs                    | Deutsch/Esperanto/English/
38027 Grenoble Cedex 1, France         | Nederlands/Francais
-------------------------------------------------------------------------------