ADL: New candidate releases of AutoDock and AutoDockTools and new User Forum

Mark Swingle mswingle at jaguar1.usouthal.edu
Fri Jun 19 16:51:24 PDT 2009


Dr. Olson et al,

Thanks for the new release!

Is the pattern search algorithm part of the "improved methods for local 
search" in 4.2.1? I noticed that there was a section of the source code that 
seems to implement this, but when I try it I an get error message 

autodock4: ./gs.cc:630: void Genetic_Algorithm::crossover(Population&): 
Assertion `(aQOK_mag4 > 0.999) && (aQOK_mag4 < 1.001)' failed.

which, I think, indicates that the quaternion is getting screwed up somehow. 
Was this intended to be functional in the 4.2.1 release? If not, I won't 
bother submitting a bug report. 

Along the same lines, I was wondering if the ga_termination keyword is useable 
in this release.

Regards,

Mark


On Friday 19 June 2009 03:25:00 pm arthur olson wrote:
> We are pleased to announce candidate releases of AutoDock and
> AutoDockTools software, as well as a new MGL Forum. After a period of
> review and feedback from the community, official releases will be made.
>
> AutoDock 4.2.1 release candidate 1: available
> from http://autodock.scripps.edu/downloads
> Changes in AutoDock4.2:
> Improved methods for local search
> More stable model for the unbound state
> Bug fixes
>
> AutoDockTools 4.2:
> available in MGLTools 1.5.4 Release Candidate 1
> from http://mgltools.scripps.edu/downloads
> Changes in AutoDockTools (ADT):
> New default settings for creating grid and docking parameter files.
> AutoLigand automatically available
> Bug fixes
>
> MGL Forum:
> available from  http://mgl.scripps.edu/forum/
> The new forum provides our user community with an organized
> infrastructure for discussion and mutual assistance. There are different
> forum rooms for each of the MGL programs, as well as general discussions
> on docking related topics. All topics and forum threads are indexed and
> searchable.
> -----------------




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