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Remove bumps from a structure


Introduction

Atomic clashes (bumps) will be removed by rotating side chain torsion angles.

Methods

Side chains torsion angles will first be rotated around in steps of 120 degrees. In a second round steps of 2, 4 or 6 degrees will be used.
The rotamer that leads to the smallest overlap with the rest of the molecule will be kept.
There is no guarantee that the molecule will be `bump-free` after this operation.
It sometimes helps to send the output of this server once again to the server.
Either Choose a pdb-file,
Or Choose your own file

If you have detected any error, or have any question or suggestion, please send an Email to Gert Vriend.
Roland Krause, Maarten L Hekkelman, Jens E Nielsen, Gert Vriend.


Last modified Mon Jan 29 12:33:00 2018