Tangram Suite v0.0.8

New stuff!

• tangram_taladraw is now part of the suite. This extension will allow you to draw 2D molecules (thanks to bkchem) and then import them into the Chimera canvas as a 3D structure! It is a very early attempt at bridging these two projects, so expect rough edges.
• tangram_subalign has been updated to allow multiple cascading methods to be used if the previous one failed. As part of this update, the com (center of mass) method is provided as a reasonable fallback: the molecules will be superposed by their center of mass. Better than nothing... :)

Tangram Suite v0.0.7

This new release feature conda recipes for all Tangram extensions, making them installable independently. The dependencies are now handled entirely with conda which should result in more robust installations. Other than that, there are no feature changes. Those will follow in the next releases thanks to these new foundations.

With v0.0.7, tangram is now a conda metapackage that collects pinned versions of all the tangram_* extensions. While in alpha, these packages will reside in the insilichem/label/dev channel. The documentation has been updated to reflect this change.

You can now create a conda environment by pulling all the necessary channels in the same conda create command:

conda create -n tangram -c insilichem/label/dev -c insilichem -c conda-forge -c omnia -c rdkit tangram

Then, the environment can be activated with conda activate tangram, and the patched Chimera instance launched with tangram.

Due to incompatibilities between some dependencies, plip has been pulled out in this release and will be merged back in the future when the openbabel build is compatible with rdkit or a fork of plip is created to only use chimera.

Tangram Suite v0.0.6

Fix OMMProtocol dependencies

Tangram Suite v0.0.5

Bump to v0.0.5 with simplified dependencies

Tangram Suite v0.0.4

Introducing Tangram

The project had been codenamed Plume until now, but we felt it was not a very adequate name. Tangram feels more appropriate: a set of small, simple pieces that together can build very different shapes.

This collection of tools will hopefully accomplish similar things in your daily molecular modelling tasks.

Plume Suite v0.0.3

Plume has been renamed as Tangram. Next updates will include the new name. v0.0.3 and below are NOT supported.

New shell functions to launch, edit and update Plume Suite.

• plume will launch UCSF Chimera via pychimera --gui
• plume_update will update the requested Plume extension
• plume_rdkit and plume_openbabel will modify the env to choose between RDKit and OpenBabel.

v0.0.2: Unified installers for Unix

Switch from the handcrafted install.sh script to the excellent constructor framework. Everything works as before, but now it should be easier to install and and update. Features:

• This installer will create, by default, a directory in your $HOME. This directory is already a conda environment, so you can activate it with conda activate plume/ and handle commands like pychimera --gui comfortably.
• This also means that updating is easier: just type pip install -U PACKAGE_URL and you are done.
• If conda is not installed in your system, you can (A) use the builtin conda in plume/bin/conda to activate it as an environment or (B) use absolute paths like plume/bin/pip or plume/bin/pychimera. Up to you!

Same cons as before: chimera and git must be installed and available in $PATH before running the installer.