Subject: Re: CCL:Making a crystal packing model in a computer

From: <[email-masked]>
Date: Mon, 11 Mar 1996 10:00:05 +0200

Dear H. Ogura,

>Obviously, making such computer-based model is going to be a formidable 
>task.  I have a few points for with I seek your advice.

Programs calculating atomic coordinates are numerous and belong to
different categories : distance calculation, structure display,
structure refinement... At no cost for non-commercial users and even
with sources, the list is long, see the well known Crystallography
Virtual Library on the WEB :
      http://www.unige.ch/crystal/w3vlc/crystal_index.html
    and go to "software".

> We would rather not use VRML...

You should use it ! VRML applications are exploding with a lot of
free stuff for all kind of operating systems and machines. You
will find PDB to VRML converters, standalone (or plug-in) viewers
distributed free with complete source (VRweb...), etc... A good
crystallography-oriented entry point may be:
      http://fluo.univ-lemans.fr:8001/vrml/vrmlinfo.html

A program which may do the whole job you need is STRUVIR, a
STRUPLO to VRML converter for PC distributed with FORTRAN source,
manual and examples. You have just to compile for your own UNIX
machine. Available at the above address together with entries for
other softwares as xtal-3d and certainly much more coming soon.

Armel Le Bail  -   Laboratoire des Fluorures,  CNRS-URA-449,
    Universite du Maine,  72017 Le Mans Cedex, FRANCE -
     [email-masked]  or  [email-masked]
     http://fluo.univ-lemans.fr:8001/