On Thu, Jun 30, 2016 at 2:27 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> Martina,
>
> > I am very grateful to everybody for your suggestions.
>
> I did not see this answer: my feeling is that you HAVE to install a
> file format converter on your machine: i. e. openbabel
> http://openbabel.org/wiki/Main_Page.
>
> babel -imol2 xxxx.mol2 -opdb xxxx.pdb
>
> I think this is difficult to be more simple...
>
If user already install amber, she/he does not need to INSTALL anything
else to do this simple file conversion.
cheers
Hai
>
> regards, Francois
>
>
> > On Wed, Jun 29, 2016 at 8:45 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> >
> >> in addition to antechamber Gerald just listed, there are also ambpdb,
> >> and ParmEd, pytraj.
> >>
> >> Hai
> >>
> >> On Wed, Jun 29, 2016 at 11:04 AM, Martina Devi <
> martinadevi2011.gmail.com>
> >> wrote:
> >>
> >> > Thankyou. May I know other tools available?
> >> >
> >> > Martina
> >> >
> >> >
> >> > On Wed, Jun 29, 2016 at 8:32 PM, Hai Nguyen <nhai.qn.gmail.com>
> wrote:
> >> >
> >> > > There are many tools in AmberTools can do that. But you can just use
> >> > > cpptraj.
> >> > >
> >> > > parm my.mol2
> >> > > trajin my.mol2
> >> > > trajout my.pdb
> >> > >
> >> > > You can also you cpptraj command line, check 'cpptraj --help' and
> its
> >> > > manual for further info
> >> > >
> >> > > Hai
> >> > >
> >> > > On Wed, Jun 29, 2016 at 10:57 AM, Martina Devi <
> >> > martinadevi2011.gmail.com>
> >> > > wrote:
> >> > >
> >> > > > Dear AmberUsers
> >> > > >
> >> > > > How do I convert mol2 to pdb?
> >> > > >
> >> > > > Regards
> >> > > > Martina
>
>
> F.-Y. Dupradeau
> ---
> http://q4md-forcefieldtools.org/FyD/
>
>
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Received on Thu Jun 30 2016 - 00:00:02 PDT
