Hi,
That just means that you don't have Babel (or OpenBabel) installed, or that
acpype isn't finding it. I think the command for it on Linux is something
like
Sudo apt-get install babel
Best,
Kenneth
On Tuesday, August 18, 2015, mohammad r <mohammad.r0325.yahoo.com> wrote:
> Thank you for your help;Sorry to ask my question here, I couldn't find any
> other website corresponding to acpype or mailing list and as I want to
> convert amber files, I thought that it's better to ask my question here.I
> typed the "$PWD/acpype" then it said that it is a directory. but still the
> acpype doesn't work.
> and in the link: https://code.google.com/p/acpype/wiki/HowToUse, in the
> section "To Test" as I type the command "../acpype.py -i FFF.pdb", I get
> the
> error:================================================================================================
> | ACPYPE: AnteChamber PYthon Parser interfacE v. 2014-08-27 18:33:08Z Rev:
> 7828 (c) 2015 AWSdS |
>
> ================================================================================================
> ERROR: no 'babel' executable; you need it if input is PDB
> ERROR: otherwise use only MOL2 or MDL file as input ... aborting!
> ACPYPE FAILED: 1
> Total time of execution: less than a second
>
> Thank you again.
>
>
> On Tuesday, August 18, 2015 5:57 PM, Jason Swails <
> jason.swails.gmail.com> wrote:
>
>
> On Tue, Aug 18, 2015 at 9:10 AM, mohammad r <mohammad.r0325.yahoo.com>
> wrote:
>
> > Thank you George;I've done the procedure mentioned in the website.
> > I've downloaded the acpype with "svn checkout
> > http://acpype.googlecode.com/svn/trunk/ acpype" command. but when I
> > installed it with "sudo ln -s $PWD/acpype.py /usr/local/bin/acpype"
> > command. but when I try to use "acpype -p FFF_AC.prmtop -x FFF_AC.inpcrd"
> > command, the error appeared .
> >
>
> You have to make sure that $PWD/acpype is executable.
>
> That said, you should be consulting the acpype user's forum or mailing list
> for help with acpype -- *not* the Amber list. It is unlikely many people
> that respond regularly on this list use acpype on a regular basis (or at
> all).
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
>
>
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>
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Received on Tue Aug 18 2015 - 07:30:06 PDT
