Subject: Summary: Autodock on Microsoft Windows platform

From: Roger Hull <[email-masked]>
Date: Mon, 12 Feb 2001 23:14:34 +0000

I had two replies to my question (below):

(1) Yes, I did compile Autodock 3.0.5 for Windows (98) using djgpp,
http://www.delorie.com/djgpp/ , almost without (additional) problems.
IIRC the only thing that had to be changed was to remove the file lock
code. I did this as I wanted to see if a core dump I got was system
specific.

The scripts in the Autodock package however use a whole range of
different shells, which might make their transfer to windows quite
cumbersome.

Mikael Johansson
    University of Helsinki
    Department of Chemistry
    http://www.chem.helsinki.fi/
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(2) Of course, under Cygwin, but the autodock compilation have some
problems with the memory access - however, this problem occurs also
under SUSE Linux (but, when compiled under RedHat and run on Susue - no
problems).

(Author replied directly to me and has not [so far] responded to my
request for his agreement for me to include his name here. Cygwin is a
freeware UNIX emulation package, see http://cygwin.com.)
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I can also report my own experience:
(3) I have successfully compiled all of the Autodock 3.0.5 under UWIN
(another UNIX emulation package, free for academic use, see 
http://www.research.att.com/sw/tools/uwin/) and Microsoft Visual c++ v6.

I have made only limited tests of the compiled modules, but at least the
main components (autogrid3 and autodock3) run successfully under Windows
NT v4.0 on an IBM PC clone with the supplied test data 3ptb. I will give
more details in a separate message when I have done more testing. UWIN
(and I think Cygwin) also provide support for running UNIX shell scripts
and UNIX utilities such as awk, so I am hopeful that the Autodock
scripts will run under UWIN.

If anyone is interested in more details of compiling Autodock for UWIN,
please contact me.

Regards,
Roger Hull
[email-masked]
>
>Has anyone tried compiling Autodock for Microsoft Windows (NT, 98, 2000,
>etc.) ? (Or do you know of anyone who has ?) I have been looking at
>doing so for Autodock version 3 using UWIN (a UNIX emulator for
>Windows).
>