ADL: about prepare_dpf4_flex.py

Shultz, Jack JShultz at nas.edu
Wed Jan 30 06:28:31 PST 2008


There is however a new script in the most recent version of MGL TOOLS
that may do the same thing

 

...\MGLTools
1.5.0\MGLToolsPckgs\AutoDockTools\Utilities24\prepare_flexdocking4.py

 

 

-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu]
On Behalf Of Shultz, Jack
Sent: Wednesday, January 30, 2008 9:12 AM
To: autodock at scripps.edu; ?????????? ?????????
Subject: Re: ADL: about prepare_dpf4_flex.py

 

Privet,

 

Funny, I'm looking in that same folder for my install and don't see it.
Maybe someone at your university created a customized MGL python script?
Are you trying to deduce how this script functions? I could try figuring
it out if you send it on the list.

 

Jack

 

-----Original Message-----

From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu]
On Behalf Of ?????????? ?????????

Sent: Wednesday, January 30, 2008 1:00 AM

To: autodock at scripps.edu

Subject: ADL: about prepare_dpf4_flex.py

 

Good day, Garrett, Ruth and all!

 

I am student of Siberian State Medical University (Tomsk, Russia). We
use AutoDock for docking ligands to EGFR. To prepare many .dpf files we
need script called prepare_dpf4_flex.py, but we haven't it in our folder
~/MGLTools-1.4.5/MGLToolsPckgs/AutoDockTools/Utilities24

We can't find it on
http://autodock.scripps.edu/faqs-help/faq/where-can-i-find-the-python-sc
ripts-for-preparing-and-analysing-autodock-dockings

,too.

 

Please help us -- tell, where we can get this script.

 

Constantin Goremykin.

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