ADL: Prepare all parameters

Jack Shultz jackygrahamez at gmail.com
Mon Jan 28 19:11:45 PST 2008


Disregard my query...I see now there is a script called
prepare_flexreceptor4.pyI'm sure I can work on this some more and get more
features condensed into one python script. I suppose there must be a caveat
doing it that way...perhaps there is a performance loss?

Jack

On Jan 28, 2008 10:05 PM, Jack Shultz <jackygrahamez at gmail.com> wrote:

> Thanks to some help from a few of you, here is my latest
> revision...getting the hang of python now...this takes care of my basic
> functionality needs...for my purposes I think sticking to python is best.
> Some of the signal flags don't work...which flags do I need to use to enable
> flexible docking?
> Jack
>
> http://hydrogenathome.org/prepare_all4.py.txt
>
>
> On Jan 28, 2008 4:41 PM, Mihaly Mezei <Mihaly.Mezei at mssm.edu> wrote:
>
> >
> > > How about the flexible docking? does your script can take care of it.
> > It is supposed to. However, I did not have a chance to battle test it -
> > only tried on some toy examples. Let me know if it acts up - I'll fix it.
> >
> >  Regards,
> > Mihaly Mezei
> >
> > Department of Structural and Chemical Biology, Mount Sinai School of
> > Medicine, NYU
> > Voice:  (212) 659-5475   Fax: (212) 849-2456
> > WWW (MSSM home): http://directory.mssm.edu/faculty/mihaly.mezei
> > WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei
> > ________________________________________________
> > --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
> >
>
>


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