Yes, that's possible, but only if you write your own ParmEd script for it.
This should do it:
import parmed as pmd
pmd.load_file('your_file.pdb').save('charmm_coordinates.crd',
format='charmmcrd')
Obviously you need to put in your own file names. Assuming you have
$AMBERHOME/bin/amber.python present in your Amber installation, you can
execute this command like so:
amber.python << EOF
import parmed as pmd
pmd.load_file('your_file.pdb').save('charmm_coordinates.crd',
format='charmmcrd')
EOF
Or save it to a file (like convert_to_charmm_crd.py) and execute it like
this:
amber.python convert_to_charmm_crd.py
HTH,
Jason
On Fri, Sep 7, 2018 at 5:04 AM Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Hi List,
>
> I have pdb and psf files obtained from VMD Psfgen. Is it possible to
> convert charmm pdb to charmm crd using parmed?
>
>
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Vice Chancellor's Research Fellow,
> Queensland University of Technology,
> 2 George Street, Brisbane, QLD 4000
> Australia
> LinkedIn
> Research Gate
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
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Received on Fri Sep 07 2018 - 20:30:02 PDT
