ghutchis / avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
http://avogadro.cc/
GNU General Public License v2.0
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Add ACE and NME capping groups in Peptide Builder #739

Closed ghutchis closed 8 years ago

ghutchis commented 9 years ago

For the peptide builder, when choosing the N and C termini, it would be good to have ACE and NME capping groups, respectively, in addition to the bare amine/carboxylic acid ends. This is a common convention when building peptide chains for running MD simulations.

Reported by: @berquist