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PostPosted: Fri Feb 12, 2010 5:26 pm 
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Joined: Wed Jun 24, 2009 2:28 am
Posts: 20
Hi
I recently downloaded raccoon, easy to start. I have single sdf file with multiple molecules and not seen any
option to change the sdf to pdbqt in raccoon, so changed the format using babel to single mol2 file format and
read that in raccoon, it split the mol2 file but while changing file to pdbqt, it stops after the molecule 243 and not
proceed further?

I try to select the multiple files in the window in raccoon, it did not able to select mutiple file, is there any option to select 10,000 files at
one selection?

Is it any way to skip the error model and finish all the molecule so that I could start doing the docking? or correct the model
and convert all to pdbqt to start docking? but Raccoon, stops after 243 and did not proceed further ?

I did used prepare.ligand , which converts 600 molecule and stops ?

Is there any easy way to convert sdf to mol2 - pdbqt to do autodocking ?

Thanks
venkat


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PostPosted: Fri Mar 12, 2010 10:04 am 
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Joined: Sat Mar 06, 2010 12:07 pm
Posts: 4
Hello Mr.Venki,

The best option to solve your problem is using PyRx program that can be downloaded from AutoDock website for free of cost. You can use the following link to donload it http://pyrx.scripps.edu/downloads

Hope the problem will be solved.


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