VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed May 28 2003 - 13:55:17 CDT

Marc,
  When the connection first occurs, endianness is determined by
the byte order of integers that come early in 'handshake' process.
Check out the IMDSim::handshake() code in VMD. The server (NAMD, Protomol,
or your program) should be sending an integer '1', VMD listens for this
and from this message determines the endianism of the remote host.

Regarding licensing: the standard VMD/NAMD licenses allow up to 10% of the
non-comment source code lines to be re-used, so that should easily cover
all of the IMD files you're interested in.
 
Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, May 28, 2003 at 08:36:18PM +0200, Marc Baaden wrote:
>
> Dear all, and in particular Justin who posted some details about the
> IMD interface code recently (thanks a lot, btw).
>
> >>> Justin Gullingsrud said:
> >> It should be very straightforward to add IMD capabilities to your MD
> >> code so that it can communicate with VMD. [..]
>
> I tried to follow Justin's instructions in order to interface a test
> program and later an MD/EM code with VMD. I am unfortunately stuck at
> VMD uttering:
>
> vmd > ERROR) Unable to ascertain relative endianness of remote machine
>
> This seems to occur after binding and listening to the socket, when the
> line
>
> if (vmdsock_selread(sock, 3600) > 0) { [..]
>
> is called, i.e. in the vmdsock_selread routine. I have looked at it, but
> couldn't yet figure out what's going wrong. Any tips from the experts ?
>
>
> Furthermore, on a more general level, as we intend to release our program
> under the GNU license (in the far future, though), how should one do ? Can
> the exchange protocol that NAMD/VMD use be considered as "free" (in a GNU
> sense) and would you guys who develop VMD/NAMD agree to let people use the
> vmsock.[Ch] and imd.[Ch] files as example templates ?
>
> Thanks in advance,
> Marc Baaden
>
> --
> Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris
> mailto:baaden_at_smplinux.de - http://www.marc-baaden.de
> FAX: +49 697912 39550 - Tel: +33 15841 5176 ou +33 609 843217
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078