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.
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.
