[Dock-fans] Fwd: ubuntu faq; was Re: dock6
dmer018 at aucklanduni.ac.nz
Wed Sep 16 20:12:36 PDT 2009
Hi to all the community,
please see the mail forwarded if you are interested in installing DOCK on an
ubuntu operative machine.
---------- Forwarded message ----------
From: Davide Mercadante <dmer018 at aucklanduni.ac.nz>
Subject: Re: [Dock-fans] ubuntu faq; was Re: dock6
To: Scott Brozell <sbrozell at rci.rutgers.edu>
I have successfull installed dock (6.2) on an ubuntu linux machine 9.04, and
unfortunately not without difficulties.
First thing you need to install:
as explained on the DOCK website in the FAQ section:
in the version 6.2 of DOCK there were some heading missing in some of the
files .cpp present in the folder dock6/src/dock. You need to insert these
headings...I sent an e-mail to the community prevoiously specifying whose
files that need to be modified.
You can find my suggestions here:
I don't know if in the 6.3 release these header missing problems have been
In addition, after the command ./configure "gnu" open the file config.h
created by the configure script and change the name of fortran compiler from
f77 to gfortran.
This actually is needed because in ubuntu f77 is not released and there are
problems of dependencies if you try to install it. Gfortran works fine and
dock will be compiled without problems.
On my ubuntu machine DOCK 6.2 worked perfectly.
Hope this can help who has got problems installing DOCK on an ubuntu
Davide Mercadante - PhD Student -
The University of Auckland
Department of Chemistry - Computational Chemistry Division -
2009/9/17 Scott Brozell <sbrozell at rci.rutgers.edu>
> On Wed, Sep 09, 2009 at 10:28:54AM -0700, John J. Irwin wrote:
> > We are sorry you are having problems with DOCK on ubuntu.
> > vamsi krishna wrote:
> > > Thank you for providing wonderful tool for
> > > docking. as i am using ubuntu linux, i could not install previous
> > > version (dock 6.2). I could not get any assistance for even community
> > > regarding this issue. I am not sure why it is so please help me to
> > > sort out the problem ( any prerequisites need to be installed or
> > > something like that ) . I hope i may be successful with new release
> > > dock 6.3 . So tried to download it but could not find any link.
> Dock-fans mailing list
> Dock-fans at docking.org
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