[Dock-fans] how to use many flexiDBs in dock.in

Terry Lang terry at cgl.ucsf.edu
Wed Oct 26 09:15:33 PDT 2005


Dear Darrell,

          If you are using DOCK 5, it does not currently have the 
flexiDB option.  You have to use the mulit-mol2 format and 
anchor-and-grow.  If you want to use flexiDB, you need to use DOCK 3.5.

Terry


Darrell Hurt wrote:

> Hi everyone,
>
> How do I specify that I want DOCK to use more than one flexiDBs in the 
> dock.in file?
>
> This is how I do it for a .mol2 database:
>
> ligand_atom_file   database.mol2
>
>
> This is how I do it for a .db database:
>
> ligand_atom_file   database.db
>
>
> But how I do indicate many .db's?
>
> Like this?:
>
> ligand_atom_file   database1.db
> ligand_atom_file   database2.db
> ligand_atom_file   database3.db
>
> Or like this?:
>
> ligand_atom_file   database1.db database2.db database3.db
>
>
> Or is it best to just "cat" the .db files?:
>
> ligand_atom_file   database1-3.db
>
>
> Thanks for your replies,
> Darrell
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-- 
P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986

 





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