VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Jul 16 2008 - 09:31:59 CDT

On Wed, 16 Jul 2008, Ian wrote:

I> Dear All,

dear ian,
 
I> I have noticed a problem when writing a trajectory to the Amber "crd" format
I> (using "File | Save Coordinates"). In particular, VMD does not seem to start
I> a new line after writing the final coordinate of a frame. When the

[...]
 
I> This doesn't seem to be a problem if the file is read back into VMD, but it
I> causes problems with other programs. I have not noticed the same problem
I> when writing to the Amber "crdbox" format.

thanks for the report of a true bug in
a lucid and comprehensible way.

I> Has anyone else noticed this?

i guess nobody cared until now. i'd rather teach
another program to read .dcd or even better use the
molfile plugin library than write files in an impractical,
slow, and low accuracy format.

the required change to the crdplugin source
code is trivial (attached) and will (i hope)
be added to the VMD code and available in the
next beta/release version.

cheers,
   axel.

I>
I> Many thanks,
I>
I> Ian.
I>
I> (I am using VMD for LINUX, version 1.8.5) 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.