ADL: command line and license

Garrett M. Morris garrett at scripps.edu
Thu Jan 17 18:25:29 PST 2008


Dear Gergely,

On 17 January, 2008 2:02:16 pm PST, Gergely Zhaoranszky wrote:

>> I'm wondering whether is AutodockTools the only software one can  
>> prepare ligands and dpf files for Autodock 4 in command line with  
>> or is there any additional script which is part of Autodock 4 and  
>> has GNU GPL license? If I there's no other tool for it does it mean  
>> that for commercial purpose one has to purchase the MGL Tools  
>> (MSLIB, STRIDE, UTpackages licenses) if wants to use command line  
>> for ligand and dpf file preparation?

On 17 Jan, 2008, at 3:28 pm, Sargis Dallakyan wrote:

> You don't need to purchase MGLTools to use it for commercial  
> purposes since its
> free for all: http://mgltools.scripps.edu/downloads/license-agreements
>
> MSLIB, STRIDE and UTpackages are the only add-on packages that require
> permissions from their authors for commercial usage. In any case,  
> you don't need
> these packages to prepare input files for Autodock using  
> AutodockTools.

These packages are only needed for the graphics side of ADT:

	MSMS -- drawing molecular surfaces
	STRIDE -- determining and drawing secondary structure of proteins
	UTpackages -- drawing isocontoured surfaces of AutoGrid maps

> I have been working with Steffen Moeller who started packaging  
> MGLTools for
> Debian-Med: http://wiki.debian.org/DebianMed. He found a couple of  
> bugs because
> of a missing mslib package, which I fixed in our CVS. If you hit  
> these bugs, use
>  Help -> Update or CVS update to get bug fixes.
>
> Thanks,
> Sargis
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list  
> ---

___
Dr Garrett M. Morris, M.A. (Oxon.), D.Phil. (Oxon.)

The Scripps Research Institute,       tel: (858) 784-2292
Dept. Molecular Biology,  MB-5,       fax: (858) 784-2860
10550  North Torrey Pines Road,       email: garrett at scripps.edu
La Jolla,  CA 92037-1000,  USA.       mgl.scripps.edu/people/gmm






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