Hi everyone,
When I use Open Babel to transfer a pdb file to a mol2 file, there is no
@<TRIPOS>SUBSTRUCTURE tag in the output file. My question is exactly the
same as Yuri Pevzner's one
<http://sourceforge.net/p/openbabel/mailman/message/27101046/>. However,
the thread was stopped after Pascal Muller's reply.
To answer his questions:
> What kind of substructure info, coming from the pdb file, do you need in the
> mol2?
>
> I want to make a mol2 file of a ligand (AB1) of the 1RV7.pdb (it's a HIV-1
protease). I extracted it by using grep AB1 1RV7.pdb > AB1.pdb.
Also, I would like to add H atoms to have them appear in mol2 output, with
AMBER99 force field. Do you have any suggestion for this?
Thank you.
Ooker.
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