[new-upstream]Avogadro 1.1.0

Avogadro 1.1.0 has been released, this is the changelog:

 What's New

This release marks the first of a new set of development "beta" releases of Avogadro, for adventurous users and programmers. It's stable enough for day-to-day use--we use it ourselves. That said, we expect there are bugs, missing features, and we do not yet recommend it for Linux distributions to package, since the programming interfaces may still change before 1.2.0 is released.

Most importantly, we seek community feedback as to needed features, bug reports, and anything else. Thanks!

The following list includes some of the changes since Avogadro 1.0.3.
Interface

    Support for "growing" molecules by inserting a fragment in place of a selected hydrogen atom
    Searches PubChem for an IUPAC name using the "Molecular Properties" command
    Custom atomic colors, atomic radii, and atom and bond labels.

Tools

    Support for adding centers of mass and centers of geometry using the selection tool

Commands / Extensions

    A new Crystallography extension provides significantly improved functionality for dealing with crystal structures, including:
        Perception of space groups
        Adjusting coordinates by "symmetrizing" them
        Fractional coordinate editing
        Scaling unit cells by volume
        Reducing to a primitive unit cell
        Viewing along Miller planes
        Generating surfaces and slabs with arbitrary Miller planes

    A new crystal library, ("Import -> Crystal") including over 480 files across 20 types of crystals
        All elements
        Common oxides, sulfides, III-V semiconductors, etc
        Most common structure types

    New builder options
        Invert chirality
        Nanotube builder based on TubeGen
        Enlarged fragment library (over 380 fragments, 76% increase!)

    New Orbital window
        Allows easy selection of particular orbitals (by number or energy) for surface rendering
        Display of orbital energies (where supported)
        DIsplay of orbital symmetries (where supported)

    Improved orbital/surface support
        Support for GAMESS-US and GAMESS-UK formats
        Support for the Molden file format
        OpenQube project

    Improved Cartesian editor
        Allows copy/paste from a variety of computational chemistry packages

    New computational chemistry interfaces including:
        ABINIT, contributed by Prof. Matthieu Verstraete
        Dalton
        GAMESS-UK, contributed by Jens Thomas
        Terachem

    Support for Bader's Atoms-In-Molecule analysis, using QTAIM, contributed by Prof. Eric Brown, of Loyola University, Chicago

Rendering / Display

    New orthographic display

    New color plugins:
        Color by SMARTS -- match a given Daylight SMARTS pattern

 Known Issues & Limitations

None at this time.

Download page: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0