Hi,
we are preparing our compounds in Avogadro 1.1.1.1 and then
use them in Gromacs and NAMD. We save the compounds as mol2 file in
Avogadro, than we import the mol2 file to some parametrization program
such as AcPype. AcPype will give you a PDF format for the ligand that
you can stick at the
Hi all,
I am trying to recreate the unit cell assemblage of 4z1r (visible using the PDB
NGL viewer on the website).
After importing my structure and checking the unit cell dimensions, I set the
space group (5 c 2y c 1 2 1 as determined using Maestro) then select “Fill Unit
Cell”. Visually,
