Hi Simon,
My example works for me in PyMOL version 1.8.0 and later. Which version do you
use?
Thomas
> On Nov 18, 2017, at 3:59 PM, Simon Kit Sang Chu
> wrote:
>
> Hi Thomas,
>
> Thanks for your help! But the NME and ACE are added unattached and randomly
> in the pdb. I simplified with a d
Hi Thomas,
Thanks for your help! But the NME and ACE are added unattached and randomly
in the pdb. I simplified with a dipeptide AA instead. The file is attached
here.
Regards,
Simon
2017-11-18 17:04 GMT+08:00 Thomas Holder :
> Hi Simon,
>
> I think this is the code you're looking for:
>
> from
Hi Simon,
I think this is the code you're looking for:
from pymol import cmd, editor
cmd.set('retain_order', 0)
cmd.fab('APAPAPAP')
editor.attach_amino_acid("last name C", 'nme')
editor.attach_amino_acid("first name N", 'ace')
Hope that helps.
Cheers,
Thomas
> On Nov 17, 2017, at 8:26 AM, Si
Hi everyone,
I am generating segments of peptide to be used in GROMACS. I might be using
amber which does not allow automatic capping. Therefore, I hope to solve it
with Pymol.
Currently, I use a pml scipt to generate the pdb file automatically. The
script is simple.
for aa in "APAPAPAP" : cmd.
