You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Essentially...
For each structure:
for each ligand:
find atoms within 40 A of centre of mass of ligand
create extra pdb file containing those atom expansion (the idea is to find symmetry ones
align them alongside the rest of the data.
The text was updated successfully, but these errors were encountered:
Essentially...
For each structure:
for each ligand:
find atoms within 40 A of centre of mass of ligand
create extra pdb file containing those atom expansion (the idea is to find symmetry ones
align them alongside the rest of the data.
The text was updated successfully, but these errors were encountered: