Subject: holes in molecular surface when using mds from QCPE

From: Nik <[email-masked]>
Date: Tue, 06 Aug 2002 14:42:09 +0200

Hi all,

I am using the mds.f program obtained from QCPE about three years ago.
It is running under SuSE Linux 8.0 and is compiled with g77. Since the
g77 compiler is very strict I needed to change the line break in the
source code. Except for this I didn't change anything. Now my problem:

When I convert the obtained the dots file into a displayable format I
find large holes in the surface calculated. I had a look in the source
code, but since I am mainly a perl and c++ programmer I couldn't find
anything obvious.

Has anyone observed something similar ?

Cheers
Nik

------
Nik Stiefl
University of Wuerzburg
Department of Pharmacy
Gemrnay
[email-masked]