Hello,
I'm running a VS using the scripts available at autodock page. However, I'm getting this error:
"swig/python detected a memory leak of type 'BHtree *', no destructor found."
But the calculation still works and grid and docking are successful. Anybody knows how to solve this python warning?
This is the script
#!/bin/csh
#
# $Id: ex09.csh,v 1.7 2008/01/10 19:01:24 rhuey Exp $
#
# Create a file with a list of the dockings to run::
cd $VSTROOT/VirtualScreening/Dockings
/bin/ls > ../etc/docking.list
# For the purposes of this tutorial, instead of running ``autodock3`` as
# you normally would) simply copy the results of a docking that we've
# done for you previously.
foreach d (`cat ../etc/docking.list`)
echo $d
cd $d
autodock4 -p $d.dpf -l $d.dlg
cp $VSTROOT/dlgs/"$d".dlg .
cd ..
end
Hi,
You can search or post your same question in the AutoDock forum:
http://mgl.scripps.edu/forum/viewforum.php?f=9&sid=140cff06d86f8908dbcab53c8e4d9764
I found the following virtual screening software using AutoDock:
http://nova.disfarm.unimi.it/cms/index.php?Software_projects:GriDock
Hi Marcos, do you can help me how to analyse the autodock vina results?
Do you have an e-mail? I'm brazillian too (it is easier to talk in portuguese).
Hello, Guys I am running the same script ex09.csh. Every time i am having this error,
> source ex09.csh
>ZINC123456_abc
Unmatched ".
Have any body faced this problem?
We have developed a pipeline for ligand preparation to virtual screening called poap ..published in computational biology and chemistry. ..i guess will be useful. https://doi.org/10.1016/j.compbiolchem.2018.02.012
Dr.Umashankar Vetrivel i will try your POAP with virtual screening.
if you have in detail explanation for your program I will be grateful to check them before giving a try for the program.
best regards
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