Tangram BondOrder

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Automatic bond order perception for UCSF Chimera [WIP]

Features

While UCSF Chimera does have some kind of bond order perception that supports its internal atom typing engine (see [Chimera-users] bond order), this information is not available to the user (not even in the Python API). This extension tries to fill the gap by providing a graphic interface to perceive bond order with external programs and/or set them manually.

Usage

[WIP]

This extension is still under development. Documentation will be ready once basic functionality is achieved.

Requirements

  • libtangram
  • rdkit
  • ambermini
conda install -c insilichem/label/dev -c insilichem -c rdkit -c omnia tangram_bondorder