Subject: CCL: looking for distance geometry program

From: <[email-masked]>
Date: Wed, 8 Feb 1995 08:58:24 +0100 (MEZ)

Dear netters,
   I am interested in Distance Geometry. I have read the abstract
of the QCPE program DGEOM by Blaney, Crippen, Dearing and Dixon.
For my purposes, this program is too heavily geared towards
biochemical applications by its requirement of PDB input etc.,
plus it comes only in VAX BACKUP tape format. Are there any
alternatives out there? What I am looking for is a simple
implementation of the metric matrix method followed by some method
for triangle inequality bounds smoothing, metrization, or refinement;
without any fancy I/O options (input of just the distance bounds
would be fine); preferably in Fortran and under unix; and
obtainable via ftp. Am I asking for too much, or does someone
know of a program meeting most of these criteria?
   Thank you for your help!
      Bernd

-- 
Dr. Bernd Hartke                  e-mail: [email-masked]
Dep. of Theoretical Chemistry
University of Stuttgart           
Pfaffenwaldring 55                Phone: +49-711-685-4409
70569 Stuttgart                   FAX:   +49-711-685-4442
GERMANY