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|Problem with pdbqt genereted by raccoon
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|Author:||rathjyoti [ Sat Feb 15, 2014 11:52 am ]|
|Post subject:||Problem with pdbqt genereted by raccoon|
The pdbqt genereted with raccoon is looking all together different from that genereted with autodock tool. Moreover, when I perform virtual screening with autodock tool genereted pdbqt i am getting success but with those genereted with Raccoon give some erratic result i.e. segmentation fault is marked and the dlg file is incomplete. please help me overcome the issue. Please find the pdbqt (ligand001.pdbqt) file genereted with ADT and that generated with raccoon (ligand_1.pdbqt) attached herewith.
|Author:||stefano [ Thu Apr 30, 2015 10:39 pm ]|
|Post subject:||Re: Problem with pdbqt genereted by raccoon|
The problem is not with Raccoon or ADT, but with your input structures.
The structure in the file "ligand_1.pdbqt" has no 3D coordinates, so you have to generate them elsewhere.
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