ADL: pdbqt to pdb
forli at scripps.edu
Wed Jan 24 10:23:36 PST 2018
You can do it in different ways, either using the ADT graphical interface or by using a
dedicated script which is in your ADT installation:
pdbqt_to_pdb: pdbqt_filename must be specified.
Usage: pdbqt_to_pdb.py -s filename
Description of command...
[-o] alternative pdb_filename
[-v] verbose output
Hope this helps.
On 01/24/2018 09:17 AM, Waldo Acevedo Castillo wrote:
> Open the pdbqt file with Autodoock Tools and save it as pdb
> El El mié, 24 de ene. de 2018 a las 13:08, Sundar <jubilantsundar at gmail.com>
>> Hi everyone,
>> What is the best way to convert pdbqt to pdb?
>> I used openbabel to do this. It worked mostly fine but with a few
>> compounds, specially with the ones have protonated Nitrogen, gets
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Stefano Forli, PhD
Dept. of Integrative Structural
and Computational Biology, MB-112A
The Scripps Research Institute
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email: forli at scripps.edu
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